inchi stringlengths 12 2.63k | inchi_key stringlengths 27 27 | isometric_smiles stringlengths 2 3.5k ⌀ | mol_formula stringlengths 1 26 | canonical_smiles stringlengths 1 1.1k ⌀ | iupac_name stringlengths 5 1.3k ⌀ | jchem_name stringlengths 5 2.25k ⌀ | classyfire_classification stringlengths 185 2.81k ⌀ | patent_count stringlengths 8 804 ⌀ | compound_name stringclasses 485
values |
|---|---|---|---|---|---|---|---|---|---|
InChI=1S/C36H53NOSi/c1-8-11-22-39(23-12-9-2,24-13-10-3)38-35-30-25-32(37-34-27(4)18-17-19-28(34)5)33(29-20-15-14-16-21-29)31(30)26-36(35,6)7/h14-21,30,35H,8-13,22-26H2,1-7H3 | ANMIMEPYAMPWSH-UHFFFAOYSA-N | CCCC[Si](CCCC)(CCCC)OC1C2CC(=NC3=C(C)C=CC=C3C)C(=C2CC1(C)C)C1=CC=CC=C1 | C36H53NOSi | CCCC[Si](CCCC)(CCCC)OC1C2CC(=NC3=C(C)C=CC=C3C)C(=C2CC1(C)C)C1=CC=CC=C1 | null | N-(2,6-dimethylphenyl)-5,5-dimethyl-3-phenyl-6-[(tributylsilyl)oxy]-1,2,4,5,6,6a-hexahydropentalen-2-imine | null | null | null |
InChI=1S/C18H25N5OS/c1-13-8-15(4-5-19-13)9-16-11-23(7-6-22(16)3)12-17-10-20-18(25-17)21-14(2)24/h4-5,8,10,16H,6-7,9,11-12H2,1-3H3,(H,20,21,24)/t16-/m0/s1 | ANMJKGILRRDWIX-INIZCTEOSA-N | CC1=NC=CC(=C1)C[C@H]2CN(CCN2C)CC3=CN=C(S3)NC(=O)C | C18H25N5OS | CC1=NC=CC(=C1)CC2CN(CCN2C)CC3=CN=C(S3)NC(=O)C | N-[5-[[(3S)-4-methyl-3-[(2-methylpyridin-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide | N-(5-{[(3S)-4-methyl-3-[(2-methylpyridin-4-yl)methyl]piperazin-1-yl]methyl}-1,3-thiazol-2-yl)acetamide | null | null | null |
InChI=1S/C11H13F3N4O2S/c1-2-4-21(19)5-3-18-6-8(15-7-18)9-16-10(20-17-9)11(12,13)14/h6-7H,2-5H2,1H3 | ANMKPHHQGUFXSR-UHFFFAOYSA-N | CCC[S](=O)CCN1C=NC(=C1)C1=NOC(=N1)C(F)(F)F | C11H13F3N4O2S | null | null | 3-{1-[2-(propane-1-sulfinyl)ethyl]-1H-imidazol-4-yl}-5-(trifluoromethyl)-1,2,4-oxadiazole | null | null | null |
InChI=1S/C22H33FN2O4/c1-15(2)19(24(6)21(27)29-22(3,4)5)20(26)25-13-11-18(12-14-25)28-17-9-7-16(23)8-10-17/h7-10,15,18-19H,11-14H2,1-6H3/t19-/m0/s1 | ANMLEMRFONBNDQ-IBGZPJMESA-N | CC(C)[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N1CCC(CC1)OC1=CC=C(F)C=C1 | C22H33FN2O4 | CC(C)C(C(=O)N1CCC(CC1)OC2=CC=C(C=C2)F)N(C)C(=O)OC(C)(C)C | tert-butyl N-[(2S)-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate | tert-butyl N-[(2S)-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate | {"alternativeParents":["CHEMONTID:0000335","CHEMONTID:0004742","CHEMONTID:0002341","CHEMONTID:0001100","CHEMONTID:0000128","CHEMONTID:0001031","CHEMONTID:0001664","CHEMONTID:0001162","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0001517","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"... | {"cn":1,"ep":1} | null |
InChI=1S/C23H29NO3/c1-5-15-24(4)16-18-7-9-20(10-8-18)23(26)27-21-13-11-19(12-14-21)22(25)17(3)6-2/h7-14,17H,5-6,15-16H2,1-4H3/t17-/m0/s1 | ANMMASFIZAFVLW-KRWDZBQOSA-N | CCCN(C)CC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C(=O)[C@@H](C)CC | C23H29NO3 | CCCN(C)CC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C(=O)C(C)CC | null | 4-[(2S)-2-methylbutanoyl]phenyl 4-{[methyl(propyl)amino]methyl}benzoate | null | null | null |
InChI=1S/C23H17ClINO3/c1-3-11-6-10(2)7-15(25)17(11)19-21(27)18-16-8-12(13-9-26-5-4-14(13)24)23(29-16)20(18)22(19)28/h3-9,16,18,20,23,28H,1H2,2H3 | ANMXCHMPQIIKOF-UHFFFAOYSA-N | CC1=CC(C=C)=C(C2=C(O)C3C4OC(C=C4C4=CN=CC=C4Cl)C3C2=O)C(I)=C1 | C23H17ClINO3 | CC1=CC(C=C)=C(C2=C(O)C3C4OC(C=C4C4=CN=CC=C4Cl)C3C2=O)C(I)=C1 | null | 8-(4-chloropyridin-3-yl)-4-(2-ethenyl-6-iodo-4-methylphenyl)-5-hydroxy-10-oxatricyclo[5.2.1.0²,⁶]deca-4,8-dien-3-one | null | null | null |
InChI=1S/C66H45N3/c1-2-17-46(18-3-1)47-33-35-48(36-34-47)51-19-16-20-54(45-51)67(52-41-37-49(38-42-52)55-21-4-10-27-61(55)68-63-29-12-6-23-57(63)58-24-7-13-30-64(58)68)53-43-39-50(40-44-53)56-22-5-11-28-62(56)69-65-31-14-8-25-59(65)60-26-9-15-32-66(60)69/h1-45H | ANMXTJCPSBWZPG-UHFFFAOYSA-N | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=C(C=C9)C1=CC=CC=C1N1C2=CC=CC=C2C2=CC=CC=C21 | C66H45N3 | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=C(C=C9)C1=CC=CC=C1N1C2=CC=CC=C2C2=CC=CC=C21 | N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline | N,N-bis[2'-(9H-carbazol-9-yl)-[1,1'-biphenyl]-4-yl]-4'-phenyl-[1,1'-biphenyl]-3-amine | null | null | null |
InChI=1S/C30H39F5N2O4S/c1-30(2,3)24-25(36-18-21-17-22(15-16-23(21)41-4)42(31,32,33,34)35)26(19-11-7-5-8-12-19)37(27(24)29(39)40)28(38)20-13-9-6-10-14-20/h5,7-8,11-12,15-17,20,24-27,36H,6,9-10,13-14,18H2,1-4H3,(H,39,40)/t24-,25-,26-,27-/m0/s1 | ANMYLZMEHRKVND-FWEHEUNISA-N | CC(C)(C)[C@H]1[C@@H]([C@@H](N([C@@H]1C(=O)O)C(=O)C2CCCCC2)C3=CC=CC=C3)NCC4=C(C=CC(=C4)S(F)(F)(F)(F)F)OC | C30H39F5N2O4S | CC(C)(C)C1C(C(N(C1C(=O)O)C(=O)C2CCCCC2)C3=CC=CC=C3)NCC4=C(C=CC(=C4)S(F)(F)(F)(F)F)OC | (2S,3S,4S,5S)-3-tert-butyl-1-(cyclohexanecarbonyl)-4-[[2-methoxy-5-(pentafluoro-lambda6-sulfanyl)phenyl]methylamino]-5-phenylpyrrolidine-2-carboxylic acid | hydrogen {[3-({[(2S,3S,4S,5S)-4-tert-butyl-5-carboxylato-1-cyclohexanecarbonyl-2-phenylpyrrolidin-3-yl]amino}methyl)-4-methoxybenzen-1-uid-1-yl]tetrakis(λ²-fluoranidyl)sulfanehexaiumyl}-λ²-fluoranide | null | null | null |
InChI=1S/C37H41FN6O4S2/c1-24-31(20-26-8-11-29(12-9-26)50(2)47)30-13-10-27(38)21-33(30)32(24)22-35(46)48-23-34(45)44-18-15-28(16-19-44)49-43-37(40)42-36(39)41-17-14-25-6-4-3-5-7-25/h3-13,20-21,28H,14-19,22-23H2,1-2H3,(H5,39,40,41,42,43)/b31-20- | ANMZKGYSKVDGEX-GTWSWNCMSA-N | CC1=C(CC(=O)OCC(=O)N2CCC(CC2)SNC(=N)NC(=N)NCCC2=CC=CC=C2)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)[S](C)=O | C37H41FN6O4S2 | null | null | 2-oxo-2-{4-[({[N'-(2-phenylethyl)carbamimidamido]methanimidoyl}amino)sulfanyl]piperidin-1-yl}ethyl 2-[(1Z)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetate | null | null | null |
InChI=1S/C20H20F3N3O2S2/c1-25-11-10-16(13-6-5-7-14(12-13)20(21,22)23)26(19(25)29)18(27)24-15-8-3-4-9-17(15)30(2)28/h3-9,12,16H,10-11H2,1-2H3,(H,24,27) | ANNCRAUREWTWTR-UHFFFAOYSA-N | CN1CCC(N(C(=O)NC2=C(C=CC=C2)[S](C)=O)C1=S)C1=CC(=CC=C1)C(F)(F)F | C20H20F3N3O2S2 | null | null | N-(2-methanesulfinylphenyl)-3-methyl-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide | null | null | null |
InChI=1S/C79H123N19O26S/c1-13-39(10)63(96-73(117)49(28-42-32-83-45-18-15-14-17-43(42)45)91-77(121)64(41(12)99)97-66(110)44(80)20-23-59(103)104)76(120)92-50(29-57(82)101)70(114)89-48(26-36(4)5)69(113)87-46(21-22-56(81)100)67(111)95-62(38(8)9)75(119)84-33-58(102)86-51(30-60(105)106)71(115)94-54(34-125)74(118)90-47(25-35(... | ANNDBPRKDOOLLM-VUVJQNNNSA-N | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O | C79H123N19O26S | null | null | (2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-methylbutanamido]acetam... | null | null | null |
InChI=1S/C24H30N4O2S/c1-16-13-25-12-11-18(16)19-14-27(2)23(30)24(19,15-28(3)17-9-10-17)22(29)26-20-7-5-6-8-21(20)31-4/h5-8,11-13,17,19H,9-10,14-15H2,1-4H3,(H,26,29) | ANNHVHQGLPIBTJ-UHFFFAOYSA-N | CSC1=C(NC(=O)C2(CN(C)C3CC3)C(CN(C)C2=O)C2=CC=NC=C2C)C=CC=C1 | C24H30N4O2S | null | null | 3-{[cyclopropyl(methyl)amino]methyl}-1-methyl-4-(3-methylpyridin-4-yl)-N-[2-(methylsulfanyl)phenyl]-2-oxopyrrolidine-3-carboxamide | null | null | null |
InChI=1S/C14H18Br2O4/c1-19-12(18)14(16)9-5-2-4-8(9)10(15)11(17)13(14)6-3-7-20-13/h8-10H,2-7H2,1H3/t8-,9+,10+,13-,14-/m1/s1 | ANNKTUGFPMLHKS-HOZAUFOCSA-N | [H][C@@]12CCC[C@]1([H])[C@@](Br)(C(=O)OC)[C@@]1(CCCO1)C(=O)[C@H]2Br | C14H18Br2O4 | null | null | methyl (3aS,4S,5R,7S,7aR)-4,7-dibromo-6-oxo-octahydrospiro[indene-5,2'-oxolane]-4-carboxylate | null | null | null |
InChI=1S/6C3H6O.Pb/c6*1-3(2)4;/h6*1-2H3;/q;;;;;;+2/i;;;;;;1+1 | ANNMLLDTBQDALZ-KTTJZPQESA-N | CC(C)=[O][208Pb++]([O]=C(C)C)([O]=C(C)C)([O]=C(C)C)([O]=C(C)C)[O]=C(C)C | C18H36O6Pb | null | null | O-{pentakis[(propan-2-ylidene)oxo](²⁰⁸Pb)plumbanebis(ylium)yl}propan-2-one | null | null | null |
InChI=1S/C22H22F3N7O2S/c1-30-6-5-11-8-15(34-4)13(7-12(11)10-30)27-21-26-9-14-17(29-21)32(3)19-16(18(33)31(14)2)28-20(35-19)22(23,24)25/h7-9H,5-6,10H2,1-4H3,(H,26,27,29) | ANNMYGSRBDLNCU-UHFFFAOYSA-N | COC1=C(NC2=NC=C3N(C)C(=O)C4=C(SC(=N4)C(F)(F)F)N(C)C3=N2)C=C2CN(C)CCC2=C1 | C22H22F3N7O2S | null | null | 13-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]-2,9-dimethyl-5-(trifluoromethyl)-4-thia-2,6,9,12,14-pentaazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(7),5,10,12-pentaen-8-one | null | null | null |
InChI=1S/C160H243N41O41S2/c1-15-86(8)130(157(239)196-118(77-124(168)209)151(233)186-109(68-84(4)5)145(227)184-108(60-67-244-14)142(224)188-111(70-92-38-23-19-24-39-92)148(230)189-114(73-95-79-174-101-41-27-26-40-99(95)101)137(219)175-81-126(211)197-132(159(241)242)88(10)17-3)199-134(216)89(11)177-144(226)116(75-122(166... | ANNOTZXDSDXFSC-RYXMQKSPSA-N | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H... | C160H243N41O41S2 | CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)NC(C(C)CC)C(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(C(C)CC)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC4=CN=CN4)NC(=O)C(CO)NC(=O)CCCCCNC(=O)C(CCCCN)NC(=O)C(CC5=C... | (2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[6-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methy... | (2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{6-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-phenylprop... | {"alternativeParents":["CHEMONTID:0000348","CHEMONTID:0004319","CHEMONTID:0004320","CHEMONTID:0004321","CHEMONTID:0004311","CHEMONTID:0004323","CHEMONTID:0004315","CHEMONTID:0004312","CHEMONTID:0004317","CHEMONTID:0004330","CHEMONTID:0004329","CHEMONTID:0004143","CHEMONTID:0004148","CHEMONTID:0004310","CHEMONTID:000431... | null | null |
InChI=1S/C20H18F3N7O5S/c1-28-19(31)30(27-26-28)13-5-4-6-15(34-2)12(13)11-35-16-8-10-29(25-16)14-7-9-24-18(36(3,32)33)17(14)20(21,22)23/h4-10H,11H2,1-3H3 | ANOAZDIMRBMDBD-UHFFFAOYSA-N | COC1=CC=CC(N2N=NN(C)C2=O)=C1COC1=NN(C=C1)C1=CC=NC(=C1C(F)(F)F)[S](C)(=O)=O | C20H18F3N7O5S | null | null | 1-{2-[({1-[2-methanesulfonyl-3-(trifluoromethyl)pyridin-4-yl]-1H-pyrazol-3-yl}oxy)methyl]-3-methoxyphenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C23H21Cl3N2O2/c1-13-21(19(29)12-20(30)23(2,3)4)27-28(18-10-9-16(25)11-17(18)26)22(13)14-5-7-15(24)8-6-14/h5-12,30H,1-4H3/b20-12- | ANODHKDYBNZOOG-NDENLUEZSA-N | CC1=C(N(N=C1C(=O)\C=C(/O)C(C)(C)C)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1 | C23H21Cl3N2O2 | CC1=C(N(N=C1C(=O)C=C(O)C(C)(C)C)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1 | null | (2Z)-1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]-3-hydroxy-4,4-dimethylpent-2-en-1-one | null | {"ep":2,"us":1} | null |
InChI=1S/C28H28N4O4/c1-4-18-16-22(19-8-12-21(13-9-19)27(33)35-3)14-15-26(18)36-17-24-23(20-10-11-20)6-5-7-25(24)32-28(34)31(2)29-30-32/h5-9,12-16,20H,4,10-11,17H2,1-3H3 | ANOGNMFEGLZVLY-UHFFFAOYSA-N | CCC1=C(OCC2=C(C=CC=C2C2CC2)N2N=NN(C)C2=O)C=CC(=C1)C1=CC=C(C=C1)C(=O)OC | C28H28N4O4 | CCC1=C(OCC2=C(C=CC=C2C2CC2)N2N=NN(C)C2=O)C=CC(=C1)C1=CC=C(C=C1)C(=O)OC | null | methyl 4'-{[2-cyclopropyl-6-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]methoxy}-3'-ethyl-[1,1'-biphenyl]-4-carboxylate | null | null | null |
InChI=1S/C27H29Cl2N3OS/c28-24-8-7-22(15-25(24)29)30-26(33)31-27(16-20-4-1-2-5-21(20)17-27)10-12-32-11-9-19(18-32)14-23-6-3-13-34-23/h1-8,13,15,19H,9-12,14,16-18H2,(H2,30,31,33) | ANOQXFKSJZVRGC-UHFFFAOYSA-N | ClC1=C(Cl)C=C(NC(=O)NC2(CCN3CCC(CC4=CC=CS4)C3)CC3=CC=CC=C3C2)C=C1 | C27H29Cl2N3OS | null | null | 1-(3,4-dichlorophenyl)-3-[2-(2-{3-[(thiophen-2-yl)methyl]pyrrolidin-1-yl}ethyl)-2,3-dihydro-1H-inden-2-yl]urea | null | null | null |
InChI=1S/C45H68N10O18S/c1-22(2)16-27(49-40(67)29(19-36(62)63)51-41(68)28(18-35(60)61)50-38(65)26(6-3-4-14-46)48-37(64)25(47)12-13-34(58)59)39(66)53-31(20-56)42(69)54-32(21-74)44(71)55-15-5-7-33(55)43(70)52-30(45(72)73)17-23-8-10-24(57)11-9-23/h8-11,22,25-33,56-57,74H,3-7,12-21,46-47H2,1-2H3,(H,48,64)(H,49,67)(H,50,65)(... | ANOSDWULNBTKIO-MBZPSOJASA-N | CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O | C45H68N10O18S | null | null | (4S)-4-amino-4-{[(1S)-5-amino-1-{[(1S)-2-carboxy-1-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1S)-1-{[(2R)-1-[(2S)-2-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}butanoic... | null | null | null |
InChI=1S/C56H34N4O/c1-3-13-35(14-4-1)36-25-28-39(29-26-36)53-58-54(43-20-11-19-41(33-43)45-24-12-18-37-15-7-8-21-44(37)45)60-55(59-53)48-34-42-30-27-38-31-32-49-52(61-56(57-49)40-16-5-2-6-17-40)51(38)50(42)47-23-10-9-22-46(47)48/h1-34H | ANOTYXPBNRNTHQ-UHFFFAOYSA-N | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC5=C(C6=CC=CC=C64)C7=C(C=C5)C=CC8=C7OC(=N8)C9=CC=CC=C9)C1=CC=CC(=C1)C1=CC=CC2=CC=CC=C21 | C56H34N4O | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC5=C(C6=CC=CC=C64)C7=C(C=C5)C=CC8=C7OC(=N8)C9=CC=CC=C9)C1=CC=CC(=C1)C1=CC=CC2=CC=CC=C21 | 15-[4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaene | 15-(4-{[1,1'-biphenyl]-4-yl}-6-[3-(naphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl)-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.0²,¹⁰.0³,⁷.0¹⁶,²¹]henicosa-1,3(7),5,8,10,12,14,16,18,20-decaene | null | null | null |
InChI=1S/N2O.O2S/c1-2-3;1-3-2/i3+2; | ANOVBNGUUAFRLC-REVVOINZSA-N | O=[S]=O.[18O]=[N]#N | N2O3S | null | null | (oxo-λ⁴-sulfanylidene)oxidane; diazo(¹⁸O)oxidane | null | null | null |
InChI=1S/C18H13S.C10H16F7N2O5S2/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-3-19(4-2)6-7(20)5-8(11,12)9(13,14)25(21,22)18-26(23,24)10(15,16)17/h1-13H;7,20H,3-6H2,1-2H3/q+1;-1 | ANOWZLAIQZJGDC-UHFFFAOYSA-N | C1=CC=C(C=C1)[S+]1C2=CC=CC=C2C2=CC=CC=C12.CCN(CC)CC(O)CC(F)(F)C(F)(F)[S](=O)(=O)[N-][S](=O)(=O)C(F)(F)F | C28H29F7N2O5S3 | null | null | 1-(diethylamino)-4,4,5,5-tetrafluoro-5-[(trifluoromethanesulfonylazanidyl)sulfonyl]pentan-2-ol; 8-phenyl-8λ⁴-thiatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-8-ylium | null | null | null |
InChI=1S/C15H18N4O4/c1-10-6-7-15(2,3)14(8-10)17-16-12-5-4-11(18(20)21)9-13(12)19(22)23/h4-5,8-9,16H,6-7H2,1-3H3 | ANPASPQKAKRVRL-UHFFFAOYSA-N | CC1=CC(=NNC2=C(C=C(C=C2)[N](=O)=O)[N](=O)=O)C(C)(C)CC1 | C15H18N4O4 | null | null | 1-(2,4-dinitrophenyl)-2-(3,6,6-trimethylcyclohex-2-en-1-ylidene)hydrazine | null | null | null |
InChI=1S/C21H25FN8O3/c1-13-26-18(30(28-13)17-5-3-4-16(22)15(17)12-23-2)19(31)27-21-24-10-14(11-25-21)20(32)29-6-8-33-9-7-29/h3-5,10-11,18,23H,6-9,12H2,1-2H3,(H,26,28)(H,24,25,27,31) | ANPDFIYSYAEWBT-UHFFFAOYSA-N | CNCC1=C(C=CC=C1F)N1N=C(C)NC1C(=O)NC1=NC=C(C=N1)C(=O)N1CCOCC1 | C21H25FN8O3 | CNCC1=C(C=CC=C1F)N1N=C(C)NC1C(=O)NC1=NC=C(C=N1)C(=O)N1CCOCC1 | null | 1-{3-fluoro-2-[(methylamino)methyl]phenyl}-3-methyl-N-[5-(morpholine-4-carbonyl)pyrimidin-2-yl]-4,5-dihydro-1H-1,2,4-triazole-5-carboxamide | null | null | null |
InChI=1S/C19H16Cl2N4O3S/c1-22-18(26)14-10-13(6-8-23-14)28-12-4-2-3-11(9-12)5-7-24-19(27)16-15(20)17(21)29-25-16/h2-4,6,8-10H,5,7H2,1H3,(H,22,26)(H,24,27) | ANPHFBVSDCQUFR-UHFFFAOYSA-N | CNC(=O)C1=NC=CC(=C1)OC2=CC=CC(=C2)CCNC(=O)C3=NSC(=C3Cl)Cl | C19H16Cl2N4O3S | CNC(=O)C1=NC=CC(=C1)OC2=CC=CC(=C2)CCNC(=O)C3=NSC(=C3Cl)Cl | 4,5-dichloro-N-[2-[3-[2-(methylcarbamoyl)pyridin-4-yl]oxyphenyl]ethyl]-1,2-thiazole-3-carboxamide | 4-(3-{2-[(4,5-dichloro-1,2-thiazol-3-yl)formamido]ethyl}phenoxy)-N-methylpyridine-2-carboxamide | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0001326","CHEMONTID:0002008","CHEMONTID:0004742","CHEMONTID:0002341","CHEMONTID:0004817","CHEMONTID:0001030","CHEMONTID:0003888","CHEMONTID:0004144","CHEMONTID:0001663","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0001516","CHEMONTID:0003940","CHEMONTID:000... | {"jp":1,"wo":1,"ep":1,"us":1} | null |
InChI=1S/C23H20N6O3/c1-2-16-13-25-28-18(16)11-15(1)19-14-29-6-5-24-23(29)22(27-19)26-17-3-4-20-21(12-17)32-10-8-30-7-9-31-20/h1-6,11-14H,7-10H2,(H,25,28)(H,26,27) | ANPHILIDWLQBCE-UHFFFAOYSA-N | C1COC2=C(C=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6)OCCO1 | C23H20N6O3 | C1COC2=C(C=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6)OCCO1 | 6-(1H-indazol-6-yl)-N-(2,3,5,6-tetrahydro-1,4,7-benzotrioxonin-9-yl)imidazo[1,2-a]pyrazin-8-amine | 6-(1H-indazol-6-yl)-N-(2,3,5,6-tetrahydro-1,4,7-benzotrioxonin-9-yl)imidazo[1,2-a]pyrazin-8-amine | null | null | null |
InChI=1S/C27H44O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,28-29H,5,7-16H2,1-4H3/t17-,18+,20+,21+,22-,23+,24+,26+,27-/m1/s1 | ANPHLQXCHVRCDX-DDMWTQRYSA-N | C[C@H](CCC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CO | C27H44O3 | CC(CCC(=O)C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)CO | (2S,6R)-7-hydroxy-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptan-3-one | (2S,6R)-2-[(1R,3aS,3bS,7S,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-7-hydroxy-6-methylheptan-3-one | null | null | null |
InChI=1S/C21H20F2N4O3/c1-13-10-25-15(11-24-13)12-27-17-4-2-3-9-26(17)19(28)18(20(27)29)14-5-7-16(8-6-14)30-21(22)23/h5-8,10-11,21H,2-4,9,12H2,1H3 | ANPKBHXFTSBPCP-UHFFFAOYSA-N | CC1=CN=C(C[N+]2=C3CCCCN3C(=O)[C-](C3=CC=C(OC(F)F)C=C3)C2=O)C=N1 | C21H20F2N4O3 | CC1=CN=C(C[N+]2=C3CCCCN3C(=O)[C-](C3=CC=C(OC(F)F)C=C3)C2=O)C=N1 | null | 3-[4-(difluoromethoxy)phenyl]-1-[(5-methylpyrazin-2-yl)methyl]-2,4-dioxo-2H,3H,4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-1-ium-3-ide | null | null | null |
InChI=1S/C24H36O4/c1-14(2)24-10-7-17-16(13-24)15(12-23(24,5)20(27)28)11-18-21(17,3)8-6-9-22(18,4)19(25)26/h13-15,17-18H,6-12H2,1-5H3,(H,25,26)(H,27,28)/t15?,17-,18+,21+,22+,23?,24?/m0/s1 | ANPROBSAMYAHME-SYYOHJDPSA-N | [H]C12C[C@@]3([H])[C@@](C)(CCC[C@]3(C)[C@@]3([H])CCC(C=C13)(C(C)C)C(C)(C2)C(O)=O)C(O)=O | C24H36O4 | null | null | (1R,2R,6R,7R)-2,6,11-trimethyl-12-(propan-2-yl)tetracyclo[10.2.2.0²,⁷.0⁹,¹⁴]hexadec-13-ene-6,11-dicarboxylic acid | null | null | null |
InChI=1S/C29H34O6/c1-21(30)27-26(31)29(34-19-24-15-9-4-10-16-24)28(33-18-23-13-7-3-8-14-23)25(35-27)20-32-17-22-11-5-2-6-12-22/h2-16,21,25-31H,17-20H2,1H3/t21-,25-,26-,27+,28+,29+/m0/s1/i25D | ANPRQUUDDNYLJN-WSXPDDSASA-N | null | C29H34O6 | null | (2R,3R,4R,5R,6S)-6-deuterio-2-[(1S)-1-hydroxyethyl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol | (2R,3R,4R,5S,6S)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-2-[(1S)-1-hydroxyethyl](6-²H)oxan-3-ol | null | null | null |
InChI=1S/C19H25NO4.C2H2O4/c1-21-16-8-6-7-15(13-16)19(23-3)14-20-11-12-24-18-10-5-4-9-17(18)22-2;3-1(4)2(5)6/h4-10,13,19-20H,11-12,14H2,1-3H3;(H,3,4)(H,5,6) | ANPRUUHSSMKDFZ-UHFFFAOYSA-N | OC(=O)C(O)=O.COC(CNCCOC1=C(OC)C=CC=C1)C1=CC(OC)=CC=C1 | C21H27NO8 | null | null | [2-methoxy-2-(3-methoxyphenyl)ethyl][2-(2-methoxyphenoxy)ethyl]amine; oxalic acid | null | null | null |
InChI=1S/C29H34N4O5/c1-6-37-27(34)26-25(30-33(31-26)19-20-7-13-24(36-5)14-8-20)23-11-9-21(10-12-23)22-15-17-32(18-16-22)28(35)38-29(2,3)4/h7-15H,6,16-19H2,1-5H3 | ANPWYRIYIUBDKK-UHFFFAOYSA-N | CCOC(=O)C1=NN(N=C1C2=CC=C(C=C2)C3=CCN(CC3)C(=O)OC(C)(C)C)CC4=CC=C(C=C4)OC | C29H34N4O5 | CCOC(=O)C1=NN(N=C1C2=CC=C(C=C2)C3=CCN(CC3)C(=O)OC(C)(C)C)CC4=CC=C(C=C4)OC | tert-butyl 4-[4-[5-ethoxycarbonyl-2-[(4-methoxyphenyl)methyl]triazol-4-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate | tert-butyl 4-{4-[5-(ethoxycarbonyl)-2-[(4-methoxyphenyl)methyl]-2H-1,2,3-triazol-4-yl]phenyl}-1,2,3,6-tetrahydropyridine-1-carboxylate | null | null | null |
InChI=1S/C13H15N/c1-9-3-2-4-13(14-9)12-8-10-5-6-11(12)7-10/h2-6,10-12H,7-8H2,1H3 | ANQADVZUJMBTAK-UHFFFAOYSA-N | CC1=NC(=CC=C1)C1CC2CC1C=C2 | C13H15N | null | null | 2-{bicyclo[2.2.1]hept-5-en-2-yl}-6-methylpyridine | null | null | null |
InChI=1S/C18H20N4O/c1-3-12(2)13-6-4-5-7-17(13)22-18(20)15(10-19)14-8-9-23-11-16(14)21-22/h4-8,12H,3,9,11,20H2,1-2H3 | ANQBITYUQUYYIQ-UHFFFAOYSA-N | CCC(C)C1=C(C=CC=C1)N1N=C2COCC=C2C(C#N)=C1N | C18H20N4O | CCC(C)C1=CC=CC=C1N2C(=C(C3=CCOCC3=N2)C#N)N | 3-amino-2-(2-butan-2-ylphenyl)-6,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile | 3-amino-2-[2-(butan-2-yl)phenyl]-2H,6H,8H-pyrano[3,4-c]pyridazine-4-carbonitrile | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0002811","CHEMONTID:0000074","CHEMONTID:0000086","CHEMONTID:0001168","CHEMONTID:0004140","CHEMONTID:0000362","CHEMONTID:0000116","CHEMONTID:0001167","CHEMONTID:0004139","CHEMONTID:0004150","CHEMONTID:0002449"],"substituents":["Pyrano[3,4-c]pyridazine","Phenylprop... | {"wo":1} | null |
InChI=1S/C24H23Cl3N2O6S/c1-13-11-28-21(14(2)29(13)24(31)34-12-15-7-5-4-6-8-15)22(35-36(3,32)33)20(23(28)30)19-17(26)9-16(25)10-18(19)27/h4-10,13-14,21H,11-12H2,1-3H3 | ANQIFYWPJOZCRP-UHFFFAOYSA-N | CC1CN2C(C(C)N1C(=O)OCC1=CC=CC=C1)C(O[S](C)(=O)=O)=C(C2=O)C1=C(Cl)C=C(Cl)C=C1Cl | C24H23Cl3N2O6S | null | null | benzyl 8-(methanesulfonyloxy)-1,3-dimethyl-6-oxo-7-(2,4,6-trichlorophenyl)-1H,2H,3H,4H,6H,8aH-pyrrolo[1,2-a]pyrazine-2-carboxylate | null | null | null |
InChI=1S/C22H29N3O4/c1-22(2,3)29-21(27)24-19(20(26)25-9-11-28-12-10-25)17-6-4-5-16-8-7-15(14-23)13-18(16)17/h7-8,13,17,19H,4-6,9-12H2,1-3H3,(H,24,27)/t17-,19-/m1/s1 | ANQKAABTOPFTNJ-IEBWSBKVSA-N | [H][C@]1(CCCC2=CC=C(C=C12)C#N)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1 | C22H29N3O4 | null | null | tert-butyl N-[(1R)-1-[(1R)-7-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(morpholin-4-yl)-2-oxoethyl]carbamate | null | null | null |
InChI=1S/C44H74N18O14S/c1-22(64)34(46)41(73)59-26(7-4-5-10-45)36(68)52-17-32(66)56-29(13-24-15-49-20-54-24)38(70)58-27(8-6-11-51-44(47)48)37(69)53-18-33(67)57-31(19-63)40(72)61-30(14-25-16-50-21-55-25)39(71)62-35(23(2)65)42(74)60-28(43(75)76)9-12-77-3/h15-16,20-23,26-31,34-35,63-65H,4-14,17-19,45-46H2,1-3H3,(H,49,54)(H... | ANQTUTMMEZJIDI-PVPNBSAZSA-N | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(O)=O | C44H74N18O14S | null | null | (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S,3R)-2-amino-3-hydroxybutanamido]hexanamido]acetamido}-3-(1H-imidazol-5-yl)propanamido]-5-carbamimidamidopentanamido]acetamido}-3-hydroxypropanamido]-3-(1H-imidazol-5-yl)propanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid | null | null | null |
InChI=1S/C22H22BrN3O2/c1-26-10-8-15(9-11-26)14-2-5-17(6-3-14)24-13-20-19-12-16(23)4-7-18(19)21(27)25-22(20)28/h2-7,12-13,15,24H,8-11H2,1H3,(H,25,27,28)/b20-13- | ANQUZQWBFOSCJJ-MOSHPQCFSA-N | CN1CCC(CC1)C1=CC=C(N\C=C2/C(=O)NC(=O)C3=CC=C(Br)C=C23)C=C1 | C22H22BrN3O2 | CN1CCC(CC1)C1=CC=C(NC=C2C(=O)NC(=O)C3=CC=C(Br)C=C23)C=C1 | (4Z)-6-bromo-4-[[4-(1-methylpiperidin-4-yl)anilino]methylidene]isoquinoline-1,3-dione | (4Z)-6-bromo-4-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0002932","CHEMONTID:0002054","CHEMONTID:0002955","CHEMONTID:0000284","CHEMONTID:0003899","CHEMONTID:0001029","CHEMONTID:0003890","CHEMONTID:0001659","CHEMONTID:0003033","CHEMONTID:0002239","CHEMONTID:0000347","CHEMONTID:0000470","CHEMONTID:0004139","CHEMONTID:000... | {"in":1,"jp":1,"wo":2,"ep":1,"ca":1} | null |
InChI=1S/C21H18ClF3N6O3S/c1-4-13-16(15(33-3)8-9-26-13)17-18(21(23,24)25)35-19(27-17)34-10-11-12(22)6-5-7-14(11)31-20(32)30(2)28-29-31/h5-9H,4,10H2,1-3H3 | ANQVUPYRBBSWIB-UHFFFAOYSA-N | CCC1=C(C2=C(SC(OCC3=C(C=CC=C3Cl)N3N=NN(C)C3=O)=N2)C(F)(F)F)C(OC)=CC=N1 | C21H18ClF3N6O3S | null | null | 1-[3-chloro-2-({[4-(2-ethyl-4-methoxypyridin-3-yl)-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy}methyl)phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C17H17ClFN5O3S/c1-3-24-14(15(21)25)11(18)12(22-24)13-10(19)8-9(17(26)27-4-2)16(28)23(13)7-5-6-20/h8H,3-5,7H2,1-2H3,(H2,21,25) | ANQWGBTXLWYHAV-UHFFFAOYSA-N | CCOC(=O)C1=CC(F)=C(N(CCC#N)C1=S)C1=NN(CC)C(C(N)=O)=C1Cl | C17H17ClFN5O3S | null | null | ethyl 6-(5-carbamoyl-4-chloro-1-ethyl-1H-pyrazol-3-yl)-1-(2-cyanoethyl)-5-fluoro-2-sulfanylidene-1,2-dihydropyridine-3-carboxylate | null | null | null |
InChI=1S/C25H29F3N2O5/c1-7-17-14(5)11-15-9-10-16(25(26,27)28)12-18(15)19(17)20-21(35-24(32)34-13(3)4)22(33-6)29-30(8-2)23(20)31/h9-10,12-14H,7-8,11H2,1-6H3 | ANQWIVDLLMJQDP-UHFFFAOYSA-N | CCN1N=C(OC)C(OC(=O)OC(C)C)=C(C1=O)C1=C(CC)C(C)CC2=CC=C(C=C12)C(F)(F)F | C25H29F3N2O5 | null | null | 1-ethyl-5-[2-ethyl-3-methyl-7-(trifluoromethyl)-3,4-dihydronaphthalen-1-yl]-3-methoxy-6-oxo-1,6-dihydropyridazin-4-yl propan-2-yl carbonate | null | null | null |
InChI=1S/C21H27N5O/c1-16-9-8-13-23-18(16)17-10-14-26(25-17)20(2,3)19(27)24-21(15-22)11-6-4-5-7-12-21/h8-10,13-14H,4-7,11-12H2,1-3H3,(H,24,27) | ANRCJWYRRMFWOG-UHFFFAOYSA-N | CC1=C(N=CC=C1)C1=NN(C=C1)C(C)(C)C(=O)NC1(CCCCCC1)C#N | C21H27N5O | null | null | N-(1-cyanocycloheptyl)-2-methyl-2-[3-(3-methylpyridin-2-yl)-1H-pyrazol-1-yl]propanamide | null | null | null |
InChI=1S/C5H11BrClNO2S/c6-2-4-8-11(9,10)5-1-3-7/h8H,1-5H2 | ANRDBLBASLJEBK-UHFFFAOYSA-N | C(CS(=O)(=O)NCCBr)CCl | C5H11BrClNO2S | C(CS(=O)(=O)NCCBr)CCl | N-(2-bromoethyl)-3-chloropropane-1-sulfonamide | N-(2-bromoethyl)-3-chloropropane-1-sulfonamide | null | null | null |
InChI=1S/C25H28ClFN2O4S/c1-15(2)22-23-24(33-16(3)4)21(20-18(26)11-8-12-19(20)27)25(30)28(23)13-14-29(22)34(31,32)17-9-6-5-7-10-17/h5-12,15-16,22-23H,13-14H2,1-4H3 | ANRLFQYIDYIBAY-UHFFFAOYSA-N | CC(C)OC1=C(C(=O)N2CCN(C(C(C)C)C12)[S](=O)(=O)C1=CC=CC=C1)C1=C(Cl)C=CC=C1F | C25H28ClFN2O4S | null | null | 2-(benzenesulfonyl)-7-(2-chloro-6-fluorophenyl)-1-(propan-2-yl)-8-(propan-2-yloxy)-1H,2H,3H,4H,6H,8aH-pyrrolo[1,2-a]pyrazin-6-one | null | null | null |
InChI=1S/C56H36N4/c1-3-14-37(15-4-1)38-28-30-40(31-29-38)55-58-54(39-16-5-2-6-17-39)59-56(60-55)48-25-13-23-44(34-48)42-21-11-20-41(32-42)43-22-12-24-47(33-43)53-50-27-10-9-26-49(50)51-35-45-18-7-8-19-46(45)36-52(51)57-53/h1-36H | ANRQAJMFEZZEQR-UHFFFAOYSA-N | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC=CC(=C5)C6=CC=CC(=C6)C7=CC(=CC=C7)C8=NC9=CC1=CC=CC=C1C=C9C1=CC=CC=C18 | C56H36N4 | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC=CC(=C5)C6=CC=CC(=C6)C7=CC(=CC=C7)C8=NC9=CC1=CC=CC=C1C=C9C1=CC=CC=C18 | 5-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[b]phenanthridine | 5-{3'-[3-(4-{[1,1'-biphenyl]-4-yl}-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1,1'-biphenyl]-3-yl}-6-azatetraphene | null | null | null |
InChI=1S/C18H17F2N5OS/c1-3-12-10-13-17(26)24(7-8-25(13)22-12)16-18(27-4-2)23-6-5-11(15(19)20)9-14(23)21-16/h3,5-6,9-10,15H,1,4,7-8H2,2H3 | ANRYBLXHPGRSGY-UHFFFAOYSA-N | CCSC1=C(N=C2C=C(C=CN12)C(F)F)N1CCN2N=C(C=C)C=C2C1=O | C18H17F2N5OS | null | null | 5-[7-(difluoromethyl)-3-(ethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]-2-ethenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one | null | null | null |
InChI=1S/C22H32N2O6/c1-6-28-18(25)17-13-22(19(26)29-7-2,23-20(27)30-21(3,4)5)15-24(17)14-16-11-9-8-10-12-16/h8-12,17H,6-7,13-15H2,1-5H3,(H,23,27)/t17-,22+/m0/s1 | ANRZLNGCYSWXND-HTAPYJJXSA-N | CCOC(=O)[C@@H]1C[C@@](CN1CC2=CC=CC=C2)(C(=O)OCC)NC(=O)OC(C)(C)C | C22H32N2O6 | CCOC(=O)C1CC(CN1CC2=CC=CC=C2)(C(=O)OCC)NC(=O)OC(C)(C)C | diethyl (2S,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2,4-dicarboxylate | 2,4-diethyl (2S,4R)-1-benzyl-4-{[(tert-butoxy)carbonyl]amino}pyrrolidine-2,4-dicarboxylate | {"alternativeParents":["CHEMONTID:0004322","CHEMONTID:0002416","CHEMONTID:0000185","CHEMONTID:0002673","CHEMONTID:0003899","CHEMONTID:0003449","CHEMONTID:0000346","CHEMONTID:0001162","CHEMONTID:0002239","CHEMONTID:0001238","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"... | null | null |
InChI=1S/C16H5Cl3F2N4/c17-8-3-7(1-2-10(8)20)13-12(4-22)24-25-16(19)15(13)14-9(18)5-23-6-11(14)21/h1-3,5-6H | ANRZTUPIDQSBCN-UHFFFAOYSA-N | FC1=C(Cl)C=C(C=C1)C1=C(N=NC(Cl)=C1C1=C(F)C=NC=C1Cl)C#N | C16H5Cl3F2N4 | null | null | 6-chloro-4-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluoropyridin-4-yl)pyridazine-3-carbonitrile | null | null | null |
InChI=1S/C21H16Cl2F2N2O5/c1-29-9-30-10-31-11-32-14-6-15(24)18(16(25)7-14)19-17(20(22)26-27-21(19)23)13-4-2-12(8-28)3-5-13/h2-8H,9-11H2,1H3 | ANSCDDVWHGUDMK-UHFFFAOYSA-N | COCOCOCOC1=CC(F)=C(C(F)=C1)C1=C(Cl)N=NC(Cl)=C1C1=CC=C(C=O)C=C1 | C21H16Cl2F2N2O5 | COCOCOCOC1=CC(F)=C(C(F)=C1)C1=C(Cl)N=NC(Cl)=C1C1=CC=C(C=O)C=C1 | null | 4-[3,6-dichloro-5-(2,6-difluoro-4-{[(methoxymethoxy)methoxy]methoxy}phenyl)pyridazin-4-yl]benzaldehyde | null | null | null |
InChI=1S/C26H27N2.2C10H9N2.Ir/c1-16-12-13-19-18-10-6-7-11-20(18)24-27-17(2)23-26(14-8-5-9-15-26)25(3,4)21(16)22(19)28(23)24;2*1-11-7-8-12(9-11)10-5-3-2-4-6-10;/h6-7,10,12-13H,5,8-9,14-15H2,1-4H3;2*2-5,7-8H,1H3;/q-1;2*-3;+7/i1D3;;; | ANSDNWVQJQAMTH-AGUGZIQGSA-N | [Ir+7]1234=5=[C--]6N(C)C=CN6C6=CC=CC=[C-]16.[2H]C([2H])([2H])C1=CC=C6C7=C(C8=[N]2C(C)=C2N8C6=C1C(C)(C)C21CCCCC1)[C-]3=CC=C7.CN1C=CN(C2=CC=CC=[C-]42)[C--]=51 |c:4,10,23,25,29,34,51,55,60,t:8,12,19,21,49,58,62,(12,8.92,;12.67,2.44,;11.53,1.4,;10.02,1.72,;12.15,,;13.68,.16,;14.01,1.66,;14.8,2.38,;15.66,1.11,;17.2,1.21,;17... | C46H45IrN6 | null | null | 16'-(²H₃)methyl-5'',5''',11',14',14'-pentamethyl-10'λ⁵-dispiro[cyclohexane-1,13'-[1,10λ⁵]diaza-[9]iridahexacyclo[10.8.0.0²,¹⁰.0³,⁸.0⁴,¹⁹.0¹⁵,²⁰]icosane-9',7'':9',7'''-bis([2,5]diaza-[7]iridatricyclo[6.4.0.0²,⁶]dodecane]-1''(12''),1'''(12'''),2'(10'),3',3'',3''',5',6''(9'),6'''(9'),7',8'',8''',10'',10''',11',15'(20'),16... | null | null | null |
InChI=1S/C17H16N2O2S/c1-2-15(20)18-12-8-4-3-7-11(12)16-17(21)22-14-10-6-5-9-13(14)19-16/h3-10,16,19H,2H2,1H3,(H,18,20) | ANSIFNNGLNKMHC-UHFFFAOYSA-N | CCC(=O)NC1=C(C=CC=C1)C1NC2=CC=CC=C2SC1=O | C17H16N2O2S | null | null | N-[2-(2-oxo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)phenyl]propanamide | null | null | null |
InChI=1S/C25H16F3IN6OS/c1-14-9-22(37-13-18-20(29)7-4-8-21(18)35-24(36)34(2)32-33-35)19(25(26,27)28)10-17(14)23-15(11-30)5-3-6-16(23)12-31/h3-10H,13H2,1-2H3 | ANSIRSZMVGXNHA-UHFFFAOYSA-N | CN1N=NN(C1=O)C1=C(CSC2=C(C=C(C(C)=C2)C2=C(C=CC=C2C#N)C#N)C(F)(F)F)C(I)=CC=C1 | C25H16F3IN6OS | CN1N=NN(C1=O)C1=C(CSC2=C(C=C(C(C)=C2)C2=C(C=CC=C2C#N)C#N)C(F)(F)F)C(I)=CC=C1 | null | 4'-({[2-iodo-6-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}sulfanyl)-2'-methyl-5'-(trifluoromethyl)-[1,1'-biphenyl]-2,6-dicarbonitrile | null | null | null |
InChI=1S/C21H16FN3O2/c22-17-10-8-16(9-11-17)21-18-7-4-12-24(18)14-20(27)25(23-21)13-19(26)15-5-2-1-3-6-15/h1-12H,13-14H2 | ANSNXLVYYZIFJE-UHFFFAOYSA-N | FC1=CC=C(C=C1)C1=NN(CC(=O)C2=CC=CC=C2)C(=O)CN2C=CC=C12 | C21H16FN3O2 | FC1=CC=C(C=C1)C1=NN(CC(=O)C2=CC=CC=C2)C(=O)CN2C=CC=C12 | 1-(4-fluorophenyl)-3-phenacyl-5H-pyrrolo[2,1-d][1,2,5]triazepin-4-one | 1-(4-fluorophenyl)-3-(2-oxo-2-phenylethyl)-3H,4H,5H-pyrrolo[2,1-d][1,2,5]triazepin-4-one | null | null | null |
InChI=1S/C53H75N13O10S/c1-7-32(6)45(66-50(72)40(21-34-16-12-9-13-17-34)61-51(73)43(27-77)65-46(68)37(54)18-30(2)3)52(74)63-39(20-33-14-10-8-11-15-33)49(71)62-41(22-35-24-55-28-58-35)47(69)57-26-44(67)60-38(19-31(4)5)48(70)64-42(53(75)76)23-36-25-56-29-59-36/h8-17,24-25,28-32,37-43,45,77H,7,18-23,26-27,54H2,1-6H3,(H,55,... | ANSVIDMAKISIDW-RZCKGPBOSA-N | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O | C53H75N13O10S | null | null | (2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-methylpentanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-methylpentanamido]-3-phenylpropanamido]-3-(1H-imidazol-5-yl)propanamido]acetamido}-4-methylpentanamido]-3-(1H-imidazol-5-yl)propanoic acid | null | null | null |
InChI=1S/C32H37N3O2.2ClH/c36-31-28-24-13-14-25(27-21-26(24)27)29(28)32(37)35(31)16-8-7-15-33-17-19-34(20-18-33)30(22-9-3-1-4-10-22)23-11-5-2-6-12-23;;/h1-6,9-14,24-30H,7-8,15-21H2;2*1H | ANSVNPRPRKFREF-UHFFFAOYSA-N | O=C1C2C(C3C=CC2C2CC32)C(=O)N1CCCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1.Cl.Cl | C32H39Cl2N3O2 | Cl.Cl.O=C1C2C3C=CC(C4CC34)C2C(=O)N1CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | null | 4-{4-[4-(diphenylmethyl)piperazin-1-yl]butyl}-4-azatetracyclo[5.3.2.0²,⁶.0⁸,¹⁰]dodec-11-ene-3,5-dione dihydrochloride | {"alternativeParents":["CHEMONTID:0001820","CHEMONTID:0003357","CHEMONTID:0003899","CHEMONTID:0003031","CHEMONTID:0001658","CHEMONTID:0003449","CHEMONTID:0003033","CHEMONTID:0002239","CHEMONTID:0000160","CHEMONTID:0000347","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0003921","CHEMONTID:0004150","CHEMONTID:000183... | null | null |
InChI=1S/C18H16ClF3N6O3/c1-27-17(29)28(26-25-27)15-4-2-3-13(19)12(15)9-30-23-8-14-11-7-10(18(20,21)22)5-6-16(11)31-24-14/h2-4,8,10H,5-7,9H2,1H3 | ANSZULDKWCZKGX-UHFFFAOYSA-N | CN1N=NN(C1=O)C1=C(CON=CC2=NOC3=C2CC(CC3)C(F)(F)F)C(Cl)=CC=C1 | C18H16ClF3N6O3 | null | null | 1-(3-chloro-2-{[({[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methylidene}amino)oxy]methyl}phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C16H20N2O4/c1-2-3-4-5-6-7-8-14-16(19)22-15-11-12(18(20)21)9-10-13(15)17-14/h9-11H,2-8H2,1H3 | ANTAQLRJXFNWLH-UHFFFAOYSA-N | CCCCCCCCC1=NC2=CC=C(C=C2OC1=O)[N](=O)=O | C16H20N2O4 | null | null | 7-nitro-3-octyl-2H-1,4-benzoxazin-2-one | null | null | null |
InChI=1S/C29H23F6N5O3S/c1-17(2)44(41,42)23-6-4-5-20(13-23)21-9-12-24(39-16-27(28(30,31)32)37-18(39)3)25(14-21)40-26(15-36-38-40)19-7-10-22(11-8-19)43-29(33,34)35/h4-17H,1-3H3 | ANTCDYCSWAKUJP-UHFFFAOYSA-N | CC(C)[S](=O)(=O)C1=CC=CC(=C1)C1=CC(N2N=NC=C2C2=CC=C(OC(F)(F)F)C=C2)=C(C=C1)N1C=C(N=C1C)C(F)(F)F | C29H23F6N5O3S | CC(C)S(=O)(=O)C1=CC=CC(=C1)C1=CC(N2N=NC=C2C2=CC=C(OC(F)(F)F)C=C2)=C(C=C1)N1C=C(N=C1C)C(F)(F)F | 1-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-(3-propan-2-ylsulfonylphenyl)phenyl]-5-[4-(trifluoromethoxy)phenyl]triazole | 1-{4-[2-methyl-4-(trifluoromethyl)-1H-imidazol-1-yl]-3'-(propane-2-sulfonyl)-[1,1'-biphenyl]-3-yl}-5-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0002327","CHEMONTID:0003315","CHEMONTID:0004233","CHEMONTID:0002629","CHEMONTID:0004742","CHEMONTID:0002341","CHEMONTID:0002311","CHEMONTID:0000505","CHEMONTID:0004144","CHEMONTID:0004160","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0000323","CHEMONTID:000... | {"wo":1,"us":1} | null |
InChI=1S/C25H21F3O4S/c1-3-15-13-17(16-5-8-18(9-6-16)33-25(26,27)28)7-10-19(15)21-22(29)20-11-12-24(32-20,23(21)30)14-31-4-2/h1,5-10,13,20,29H,4,11-12,14H2,2H3 | ANTCONXCLUORQQ-UHFFFAOYSA-N | CCOCC12CCC(O1)C(O)=C(C2=O)C1=C(C=C(C=C1)C1=CC=C(SC(F)(F)F)C=C1)C#C | C25H21F3O4S | null | null | 1-(ethoxymethyl)-3-{3-ethynyl-4'-[(trifluoromethyl)sulfanyl]-[1,1'-biphenyl]-4-yl}-4-hydroxy-8-oxabicyclo[3.2.1]oct-3-en-2-one | null | null | null |
InChI=1S/C26H27Cl2F3N6O3S2/c1-14-9-18(26(29,30)31)34-37(14)12-20(41)35-5-7-36(8-6-35)24-33-19(13-42-24)32-22(38)16-10-15(27)11-17(28)21(16)40-23(39)25(2,3)4/h9-11,13H,5-8,12H2,1-4H3,(H,32,38) | ANTDYUZCZKQJFH-UHFFFAOYSA-N | CC1=CC(=NN1CC(=S)N1CCN(CC1)C1=NC(NC(=O)C2=C(OC(=O)C(C)(C)C)C(Cl)=CC(Cl)=C2)=CS1)C(F)(F)F | C26H27Cl2F3N6O3S2 | CC1=CC(=NN1CC(=S)N1CCN(CC1)C1=NC(NC(=O)C2=C(OC(=O)C(C)(C)C)C(Cl)=CC(Cl)=C2)=CS1)C(F)(F)F | null | 2,4-dichloro-6-{[2-(4-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanethioyl}piperazin-1-yl)-1,3-thiazol-4-yl]carbamoyl}phenyl 2,2-dimethylpropanoate | null | null | null |
InChI=1S/C26H27BrFN5O2S/c1-5-16-14-20(28)25(29-21(16)6-2)17-11-12-24(19(27)13-17)36-15-18-22(9-8-10-23(18)35-7-3)33-26(34)32(4)30-31-33/h8-14H,5-7,15H2,1-4H3 | ANTFXDHLZDHVTI-UHFFFAOYSA-N | CCOC1=CC=CC(N2N=NN(C)C2=O)=C1CSC1=C(Br)C=C(C=C1)C1=C(F)C=C(CC)C(CC)=N1 | C26H27BrFN5O2S | null | null | 1-[2-({[2-bromo-4-(5,6-diethyl-3-fluoropyridin-2-yl)phenyl]sulfanyl}methyl)-3-ethoxyphenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C21H22ClN3O3S/c1-14-20(9-10-25(14)17-6-5-16(13-23)19(22)12-17)24-21(26)11-15-3-7-18(8-4-15)29(2,27)28/h3-8,12,14,20H,9-11H2,1-2H3,(H,24,26)/t14-,20+/m0/s1 | ANTIXRGBTKGDLJ-VBKZILBWSA-N | C[C@H]1[C@@H](CCN1C1=CC(Cl)=C(C=C1)C#N)NC(=O)CC1=CC=C(C=C1)[S](C)(=O)=O | C21H22ClN3O3S | null | null | N-[(2S,3R)-1-(3-chloro-4-cyanophenyl)-2-methylpyrrolidin-3-yl]-2-(4-methanesulfonylphenyl)acetamide | null | null | null |
InChI=1S/C22H19BrClN3O3/c1-29-20-11-14(12-26-27-22(28)15-6-8-17(25)9-7-15)10-18(23)21(20)30-13-16-4-2-3-5-19(16)24/h2-12H,13,25H2,1H3,(H,27,28)/b26-12+ | ANTMGHCRQZPVIZ-RPPGKUMJSA-N | COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)N)Br)OCC3=CC=CC=C3Cl | C22H19BrClN3O3 | COc1cc(/C=N/NC(=O)c2ccc(N)cc2)cc(Br)c1OCc1ccccc1Cl | 4-amino-N-[(E)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]benzamide | 4-amino-N'-[(1E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]benzohydrazide | {"alternativeParents":["CHEMONTID:0004742","CHEMONTID:0000284","CHEMONTID:0000138","CHEMONTID:0000321","CHEMONTID:0004113","CHEMONTID:0000128","CHEMONTID:0001098","CHEMONTID:0001099","CHEMONTID:0001029","CHEMONTID:0001030","CHEMONTID:0000347","CHEMONTID:0002450","CHEMONTID:0001515","CHEMONTID:0001516","CHEMONTID:000394... | null | null |
InChI=1S/C10H16O5/c1-4-9(3)6-10(13,8(12)15-9)7(11)14-5-2/h13H,4-6H2,1-3H3/t9-,10+/m0/s1 | ANTOHDOIUUBAGA-VHSXEESVSA-N | CCOC(=O)[C@]1(O)C[C@](C)(CC)OC1=O | C10H16O5 | CCOC(=O)C1(O)CC(C)(CC)OC1=O | null | ethyl (3R,5S)-5-ethyl-3-hydroxy-5-methyl-2-oxooxolane-3-carboxylate | null | null | null |
InChI=1S/C24H33N7O3S.ClH/c1-6-21(29(4)24(32)18-11-15(2)7-8-19(18)28-35(5,33)34)20-12-22-26-23(16(3)13-31(22)27-20)30-10-9-17(25)14-30;/h7-8,11-13,17,21,28H,6,9-10,14,25H2,1-5H3;1H/t17-,21-;/m0./s1 | ANTRBSSVHVDFMD-PVMVIUQGSA-N | CC[C@@H](C1=NN2C=C(C(=NC2=C1)N3CC[C@@H](C3)N)C)N(C)C(=O)C4=C(C=CC(=C4)C)NS(=O)(=O)C.Cl | C24H34ClN7O3S | CCC(C1=NN2C=C(C(=NC2=C1)N3CCC(C3)N)C)N(C)C(=O)C4=C(C=CC(=C4)C)NS(=O)(=O)C.Cl | N-[(1S)-1-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propyl]-2-(methanesulfonamido)-N,5-dimethylbenzamide;hydrochloride | N-[(1S)-1-{5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl}propyl]-2-methanesulfonamido-N,5-dimethylbenzamide hydrochloride | null | null | null |
InChI=1S/C12H14N4O3S/c1-12(2,3)10(17)18-7-20-11-15-9(16-19-11)8-6-13-4-5-14-8/h4-6H,7H2,1-3H3 | ANTVJLSKQRLCBE-UHFFFAOYSA-N | CC(C)(C)C(=O)OCSC1=NC(=NO1)C1=NC=CN=C1 | C12H14N4O3S | CC(C)(C)C(=O)OCSc1nc(-c2cnccn2)no1 | (3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)sulfanylmethyl 2,2-dimethylpropanoate | {[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]sulfanyl}methyl 2,2-dimethylpropanoate | {"alternativeParents":["CHEMONTID:0000067","CHEMONTID:0002131","CHEMONTID:0004144","CHEMONTID:0002924","CHEMONTID:0001238","CHEMONTID:0003260","CHEMONTID:0004140","CHEMONTID:0001137","CHEMONTID:0004139","CHEMONTID:0004557","CHEMONTID:0000278","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"... | null | null |
InChI=1S/C40H56N12O7/c1-3-4-5-11-42-38-37-33(44-39(41)45-38)10-13-50(37)27-31-7-6-30(25-34(31)56-2)26-48-14-16-49(17-15-48)40(55)43-12-19-57-21-23-59-24-22-58-20-18-51-28-32(46-47-51)29-52-35(53)8-9-36(52)54/h6-10,13,25,28H,3-5,11-12,14-24,26-27,29H2,1-2H3,(H,43,55)(H3,41,42,44,45) | ANTVNWQJZCJTLW-UHFFFAOYSA-N | CCCCCNC1=C2N(CC3=C(OC)C=C(CN4CCN(CC4)C(=O)NCCOCCOCCOCCN4C=C(CN5C(=O)C=CC5=O)N=N4)C=C3)C=CC2=NC(N)=N1 | C40H56N12O7 | CCCCCNC1=NC(=NC2=C1N(C=C2)CC3=C(C=C(C=C3)CN4CCN(CC4)C(=O)NCCOCCOCCOCCN5C=C(N=N5)CN6C(=O)C=CC6=O)OC)N | 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl]-N-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine-1-carboxamide | 4-[(4-{[2-amino-4-(pentylamino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl}-3-methoxyphenyl)methyl]-N-(2-{2-[2-(2-{4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}ethyl)piperazine-1-carboxamide | null | null | null |
InChI=1S/C15H30/c1-4-6-8-10-12-14-15(3)13-11-9-7-5-2/h12,14-15H,4-11,13H2,1-3H3/b14-12- | ANTWPYCGDMNFQA-OWBHPGMISA-N | CCCCCCC(C)\C=C/CCCCC | C15H30 | CCCCCCC(C)C=CCCCCC | null | (6Z)-8-methyltetradec-6-ene | null | null | null |
InChI=1S/C16H28O9/c1-16(12-25-15(22)6-9-19,10-23-13(20)4-2-7-17)11-24-14(21)5-3-8-18/h17-19H,2-12H2,1H3 | ANTWWVPXDZHVDX-UHFFFAOYSA-N | CC(COC(=O)CCCO)(COC(=O)CCCO)COC(=O)CCO | C16H28O9 | CC(COC(=O)CCCO)(COC(=O)CCCO)COC(=O)CCO | [2-(4-hydroxybutanoyloxymethyl)-3-(3-hydroxypropanoyloxy)-2-methylpropyl] 4-hydroxybutanoate | 3-[(4-hydroxybutanoyl)oxy]-2-{[(3-hydroxypropanoyl)oxy]methyl}-2-methylpropyl 4-hydroxybutanoate | null | null | null |
InChI=1S/C22H21BrF3N7O2S/c1-12-19(28-32(20(12)36-4)11-22(24,25)26)16-8-9-18(13(2)27-16)35-10-14-15(23)6-5-7-17(14)33-21(34)31(3)29-30-33/h5-9H,10-11H2,1-4H3 | ANTYMXDASSDGCI-UHFFFAOYSA-N | CSC1=C(C)C(=NN1CC(F)(F)F)C1=CC=C(OCC2=C(C=CC=C2Br)N2N=NN(C)C2=O)C(C)=N1 | C22H21BrF3N7O2S | null | null | 1-{3-bromo-2-[({2-methyl-6-[4-methyl-5-(methylsulfanyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]pyridin-3-yl}oxy)methyl]phenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C11H9F4NO3.C3H9N/c1-3(2)16-10(17)4-5(11(18)19)7(13)9(15)8(14)6(4)12;1-3(2)4/h3H,1-2H3,(H,16,17)(H,18,19);3H,4H2,1-2H3 | ANUNAPNBPAHCEE-UHFFFAOYSA-N | CC(C)N.CC(C)NC(=O)C1=C(C(O)=O)C(F)=C(F)C(F)=C1F | C14H18F4N2O3 | null | null | 2,3,4,5-tetrafluoro-6-[(propan-2-yl)carbamoyl]benzoic acid; propan-2-amine | null | null | null |
InChI=1S/C30H20ClN5O/c31-24-17-15-21(16-18-24)28-23(20-35(34-28)25-11-5-2-6-12-25)19-32-36-29(22-9-3-1-4-10-22)33-27-14-8-7-13-26(27)30(36)37/h1-20H | ANUNETAUZZLFFJ-UHFFFAOYSA-N | ClC1=CC=C(C=C1)C1=NN(C=C1C=NN1C(=O)C2=CC=CC=C2N=C1C1=CC=CC=C1)C1=CC=CC=C1 | C30H20ClN5O | null | null | 3-({[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino)-2-phenyl-3,4-dihydroquinazolin-4-one | null | null | null |
InChI=1S/C10H6ClN5O2S3/c1-3-12-8(16-15-3)21-10-13-6(11)4(20-10)2-5-7(17)14-9(18)19-5/h2H,1H3,(H,12,15,16)(H,14,17,18) | ANUOPASTGMPHHX-UHFFFAOYSA-N | CC1=NN=C(N1)SC1=NC(Cl)=C(S1)C=C1SC(=O)NC1=O | C10H6ClN5O2S3 | null | null | 5-({4-chloro-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl}methylidene)-1,3-thiazolidine-2,4-dione | null | null | null |
InChI=1S/C12H11N5.C7H6O6S/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-5,7-8H,6H2,(H2,13,14,15,16,17);1-3,8H,(H,9,10)(H,11,12,13) | ANUQLDTUVLLKIR-UHFFFAOYSA-N | OC(=O)C1=CC(=CC=C1O)[S](O)(=O)=O.C(NC1=C2NC=NC2=NC=N1)C1=CC=CC=C1 | C19H17N5O6S | null | null | 2-hydroxy-5-sulfobenzoic acid; N-benzyl-7H-purin-6-amine | null | null | null |
InChI=1S/C11H6BrF8N3S/c12-9(15,7-22-4-6(3-21)5-23-7)24-2-1-8(13,14)10(16,17)11(18,19)20/h4-5H,1-2H2 | ANVCBVPQQLSACK-UHFFFAOYSA-N | FC(F)(F)C(F)(F)C(F)(F)CCSC(F)(Br)C1=NC=C(C=N1)C#N | C11H6BrF8N3S | null | null | 2-[bromo(fluoro)[(3,3,4,4,5,5,5-heptafluoropentyl)sulfanyl]methyl]pyrimidine-5-carbonitrile | null | null | null |
InChI=1S/C20H14Br2F4N6O2/c1-10-6-16(12(20(24,25)26)7-15(10)31-8-17(23)27-18(31)22)34-9-11-13(21)4-3-5-14(11)32-19(33)30(2)28-29-32/h3-8H,9H2,1-2H3 | ANVJNXUXCBILRD-UHFFFAOYSA-N | CN1N=NN(C1=O)C1=C(COC2=C(C=C(N3C=C(F)N=C3Br)C(C)=C2)C(F)(F)F)C(Br)=CC=C1 | C20H14Br2F4N6O2 | null | null | 1-(3-bromo-2-{[4-(2-bromo-4-fluoro-1H-imidazol-1-yl)-5-methyl-2-(trifluoromethyl)phenoxy]methyl}phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C26H22N2O3/c29-25(30)17-28-23-9-5-4-8-21(23)22-16-27(15-14-24(22)28)26(31)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13H,14-17H2,(H,29,30) | ANVJOOBPQZYQFR-UHFFFAOYSA-N | C1CN(CC2=C1N(C3=CC=CC=C23)CC(=O)O)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5 | C26H22N2O3 | C1CN(CC2=C1N(C3=CC=CC=C23)CC(=O)O)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5 | 2-[2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid | 2-(2-{[1,1'-biphenyl]-4-carbonyl}-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl)acetic acid | {"alternativeParents":["CHEMONTID:0000041","CHEMONTID:0004196","CHEMONTID:0000060","CHEMONTID:0004197","CHEMONTID:0000178","CHEMONTID:0000321","CHEMONTID:0002257","CHEMONTID:0001664","CHEMONTID:0004144","CHEMONTID:0001137","CHEMONTID:0004139","CHEMONTID:0001205","CHEMONTID:0001831","CHEMONTID:0004150","CHEMONTID:000394... | {"ca":1,"cn":3,"ep":1,"in":1,"jp":3,"no":1,"us":3,"wo":1} | null |
InChI=1S/C20H21F2N5O2S/c1-4-30-19-16(8-7-15(25-19)17(21)22)27-11-24-18(26-27)13-6-5-12(2)14(9-13)10-23-20(28)29-3/h5-9,11,17H,4,10H2,1-3H3,(H,23,28) | ANVNPHDLXWEJHF-UHFFFAOYSA-N | CCSC1=C(C=CC(=N1)C(F)F)N1C=NC(=N1)C1=CC(CNC(=O)OC)=C(C)C=C1 | C20H21F2N5O2S | null | null | methyl N-[(5-{1-[6-(difluoromethyl)-2-(ethylsulfanyl)pyridin-3-yl]-1H-1,2,4-triazol-3-yl}-2-methylphenyl)methyl]carbamate | null | null | null |
InChI=1S/C28H24N4O6S/c33-27-24(20-25-26(29-38-32(25)35)23-14-8-3-9-15-23)28(34)31(19-17-22-12-6-2-7-13-22)39(36,37)30(27)18-16-21-10-4-1-5-11-21/h1-15,20H,16-19H2 | ANVOFNRGWADVQP-UHFFFAOYSA-N | O=C1N(CCC2=CC=CC=C2)[S](=O)(=O)N(CCC2=CC=CC=C2)C(=O)C1=CC1=[N](=O)ON=C1C1=CC=CC=C1 | C28H24N4O6S | null | null | 4-[(2-oxo-4-phenyl-1,2λ⁵,5-oxadiazol-3-yl)methylidene]-2,6-bis(2-phenylethyl)-1λ⁶,2,6-thiadiazinane-1,1,3,5-tetrone | null | null | null |
InChI=1S/C20H20N2/c1-3-7-17(8-4-1)11-13-19-15-21-16-20(22-19)14-12-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2 | ANVUEWXMTAQSPL-UHFFFAOYSA-N | C(CC1=CN=CC(CCC2=CC=CC=C2)=N1)C1=CC=CC=C1 | C20H20N2 | C1=CC=C(C=C1)CCC2=CN=CC(=N2)CCC3=CC=CC=C3 | 2,6-bis(2-phenylethyl)pyrazine | 2,6-bis(2-phenylethyl)pyrazine | null | null | null |
InChI=1S/C22H25F4N5O3/c1-4-8-30(2)12-22(19(32)28-15-6-5-7-27-18(15)24)14(11-31(3)20(22)33)13-9-16(23)29-17(10-13)34-21(25)26/h5-7,9-10,14,21H,4,8,11-12H2,1-3H3,(H,28,32) | ANVXZEOHQPTVTA-UHFFFAOYSA-N | CCCN(C)CC1(C(CN(C)C1=O)C1=CC(F)=NC(OC(F)F)=C1)C(=O)NC1=C(F)N=CC=C1 | C22H25F4N5O3 | null | null | 4-[2-(difluoromethoxy)-6-fluoropyridin-4-yl]-N-(2-fluoropyridin-3-yl)-1-methyl-3-{[methyl(propyl)amino]methyl}-2-oxopyrrolidine-3-carboxamide | null | null | null |
InChI=1S/C10H17N5O16P4/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4(29-32(17,18)19)5(28-6)2-27-34(23,24)31-35(25,26)30-33(20,21)22/h3-6H,1-2H2,(H,23,24)(H,25,26)(H2,17,18,19)(H2,20,21,22)(H3,11,13,14,16)/t4-,5+,6+/m0/s1 | ANWDCLFAZADEBZ-KVQBGUIXSA-N | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O | C10H17N5O16P4 | C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O | [[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | {[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-2-({[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | null | null | null |
InChI=1S/C31H31F3N6O3S/c1-3-23(41)40-12-9-22(16(40)2)43-28-20-6-5-18(19-7-8-21(33)27-26(19)36-29(35)44-27)24(34)25(20)37-30(38-28)42-15-31-10-4-11-39(31)14-17(32)13-31/h3,5-8,16-17,22H,1,4,9-15H2,2H3,(H2,35,36)/t16-,17-,22-,31+/m1/s1 | ANWDXILFUXZJOU-YKJDAELLSA-N | C[C@@H]1[C@@H](CCN1C(=O)C=C)OC2=NC(=NC3=C2C=CC(=C3F)C4=C5C(=C(C=C4)F)SC(=N5)N)OC[C@@]67CCCN6C[C@@H](C7)F | C31H31F3N6O3S | CC1C(CCN1C(=O)C=C)OC2=NC(=NC3=C2C=CC(=C3F)C4=C5C(=C(C=C4)F)SC(=N5)N)OCC67CCCN6CC(C7)F | 1-[(2R,3R)-3-[7-(2-amino-7-fluoro-1,3-benzothiazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]oxy-2-methylpyrrolidin-1-yl]prop-2-en-1-one | 1-[(2R,3R)-3-[(2-{[(2R,7aS)-2-fluoro-hexahydro-1H-pyrrolizin-7a-yl]methoxy}-7-(2-amino-7-fluoro-1,3-benzothiazol-4-yl)-8-fluoroquinazolin-4-yl)oxy]-2-methylpyrrolidin-1-yl]prop-2-en-1-one | null | null | null |
InChI=1S/C34H38N2P2S4Te/c39-34(36-26-14-5-15-27-36)41-43(28-16-17-29-43)42-38(32-22-10-3-11-23-32,33-24-12-4-13-25-33)35-37(40,30-18-6-1-7-19-30)31-20-8-2-9-21-31/h1-4,6-13,18-25H,5,14-17,26-29H2 | ANWFPOXFYWFLLV-UHFFFAOYSA-N | S=C(S[Te]1(CCCC1)S[P](=N[P](=S)(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)N1CCCCC1 | C34H38N2P2S4Te | null | null | 1-[({[diphenyl(sulfanylidene)-λ⁵-phosphanyl]imino}diphenyl-λ⁵-phosphanyl)sulfanyl]-1λ⁴-tellurolan-1-yl piperidine-1-carbodithioate | null | null | null |
InChI=1S/C13H10N2O3/c16-10-6-5-9(7-3-1-2-4-8(7)10)11-12(17)15-13(18)14-11/h1-6,11,16H,(H2,14,15,17,18) | ANWGUQMIBXTJDJ-UHFFFAOYSA-N | OC1=CC=C(C2NC(=O)NC2=O)C2=C1C=CC=C2 | C13H10N2O3 | null | null | 5-(4-hydroxynaphthalen-1-yl)imidazolidine-2,4-dione | null | null | null |
InChI=1S/C20H18ClFN2O3/c1-9-6-10(2)16-13(7-9)17(15(22)8-14(16)21)18-19(27-12(4)25)11(3)23-24(5)20(18)26/h6-8H,1-5H3 | ANWIFINOQFOROI-UHFFFAOYSA-N | CN1N=C(C)C(OC(C)=O)=C(C1=O)C1=C(F)C=C(Cl)C2=C1C=C(C)C=C2C | C20H18ClFN2O3 | null | null | 5-(4-chloro-2-fluoro-5,7-dimethylnaphthalen-1-yl)-1,3-dimethyl-6-oxo-1,6-dihydropyridazin-4-yl acetate | null | null | null |
InChI=1S/C26H32F3NO7S2/c1-25(2,3)37-24(31)16-36-23-12-8-10-20-21(23)9-6-7-11-22(20)30(4)39(34,35)19-14-17(26(27,28)29)13-18(15-19)38(5,32)33/h8,10,12-15,22H,6-7,9,11,16H2,1-5H3 | ANWJDEHGGPTZEO-UHFFFAOYSA-N | CC(C)(C)OC(=O)COC1=CC=CC2=C1CCCCC2N(C)S(=O)(=O)C3=CC(=CC(=C3)S(=O)(=O)C)C(F)(F)F | C26H32F3NO7S2 | CC(C)(C)OC(=O)COC1=CC=CC2=C1CCCCC2N(C)S(=O)(=O)C3=CC(=CC(=C3)S(=O)(=O)C)C(F)(F)F | tert-butyl 2-[[5-[methyl-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]sulfonylamino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-1-yl]oxy]acetate | tert-butyl 2-({5-[N-methyl3-methanesulfonyl-5-(trifluoromethyl)benzenesulfonamido]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-1-yl}oxy)acetate | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0004551","CHEMONTID:0000031","CHEMONTID:0004233","CHEMONTID:0002341","CHEMONTID:0000128","CHEMONTID:0001585","CHEMONTID:0000505","CHEMONTID:0003137","CHEMONTID:0001238","CHEMONTID:0001137","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831","CHEMONTID:000... | {"wo":1,"ep":2,"us":1} | null |
InChI=1S/C21H25BrF3N3O3/c1-12(2)31-17-10-14(4)26-19(22)18(17)20(29)27-28(6-7-30-5)16-9-13(3)8-15(11-16)21(23,24)25/h8-12H,6-7H2,1-5H3,(H,27,29) | ANWJKILIQOZSHK-UHFFFAOYSA-N | COCCN(NC(=O)C1=C(Br)N=C(C)C=C1OC(C)C)C1=CC(=CC(C)=C1)C(F)(F)F | C21H25BrF3N3O3 | null | null | 2-bromo-N'-(2-methoxyethyl)-6-methyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]-4-(propan-2-yloxy)pyridine-3-carbohydrazide | null | null | null |
InChI=1S/C16H13NS/c1-2-6-14(7-3-1)10-12-17-11-4-8-15(17)16-9-5-13-18-16/h1-13H/b12-10+ | ANWOUCONESQBLM-ZRDIBKRKSA-N | C1=CC=C(C=C1)/C=C/N2C=CC=C2C3=CC=CS3 | C16H13NS | C1=CC=C(C=C1)C=CN2C=CC=C2C3=CC=CS3 | 1-[(E)-2-phenylethenyl]-2-thiophen-2-ylpyrrole | 1-[(E)-2-phenylethenyl]-2-(thiophen-2-yl)-1H-pyrrole | null | null | null |
InChI=1S/C54H73N11O14S/c1-32(2)25-40(64-52(76)38(20-22-47(70)71)63-51(75)37(19-21-43(56)66)62-48(72)36(55)26-33-13-7-4-8-14-33)53(77)65-42(28-35-17-11-6-12-18-35)50(74)59-31-46(69)61-41(27-34-15-9-5-10-16-34)49(73)58-29-44(67)57-30-45(68)60-39(54(78)79)23-24-80-3/h4-18,32,36-42H,19-31,55H2,1-3H3,(H2,56,66)(H,57,67)(H,5... | ANWSEISLOSHRKD-FVMQRRFMSA-N | CSCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(O)=O | C54H73N11O14S | null | null | (4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1S)-1-[({[(1S)-1-({[({[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid | null | null | null |
InChI=1S/C24H34N2O8/c1-13(2)26-14(3)18(10-15-4-6-16(7-5-15)32-17-8-9-31-12-17)23(25-26)34-24-22(30)21(29)20(28)19(11-27)33-24/h4-7,13,17,19-22,24,27-30H,8-12H2,1-3H3/t17-,19+,20+,21-,22+,24-/m0/s1 | ANWYBFZMUWITIL-MSPSQLFFSA-N | CC1=C(C(=NN1C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(C=C3)O[C@H]4CCOC4 | C24H34N2O8 | CC1=C(C(=NN1C(C)C)OC2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(C=C3)OC4CCOC4 | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-methyl-4-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-1-propan-2-ylpyrazol-3-yl]oxyoxane-3,4,5-triol | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[5-methyl-4-({4-[(3S)-oxolan-3-yloxy]phenyl}methyl)-1-(propan-2-yl)-1H-pyrazol-3-yl]oxy}oxane-3,4,5-triol | {"alternativeParents":["CHEMONTID:0002341","CHEMONTID:0004742","CHEMONTID:0000128","CHEMONTID:0001540","CHEMONTID:0002012","CHEMONTID:0004144","CHEMONTID:0000087","CHEMONTID:0001967","CHEMONTID:0001661","CHEMONTID:0004140","CHEMONTID:0001656","CHEMONTID:0001167","CHEMONTID:0004139","CHEMONTID:0002286","CHEMONTID:000455... | {"ca":1,"de":1,"us":1} | null |
InChI=1S/C20H26F3N3O6S/c1-5-6-10-32-24-15-8-7-9-25(18(15)27)16-12-17(14(3)11-13(16)2)26(19(28)31-4)33(29,30)20(21,22)23/h11-12H,5-10H2,1-4H3 | ANXAAHJMDYBGEQ-UHFFFAOYSA-N | CCCCON=C1CCCN(C1=O)C1=C(C)C=C(C)C(=C1)N(C(=O)OC)[S](=O)(=O)C(F)(F)F | C20H26F3N3O6S | null | null | methyl N-{5-[3-(butoxyimino)-2-oxopiperidin-1-yl]-2,4-dimethylphenyl}-N-trifluoromethanesulfonylcarbamate | null | null | null |
InChI=1S/C26H30N6O4/c1-16-23(17(2)36-30-16)21-15-22(32-13-11-31(12-14-32)18(3)33)29-25(28-21)27-20-7-5-19(6-8-20)26(24(34)35)9-4-10-26/h5-8,15H,4,9-14H2,1-3H3,(H,34,35)(H,27,28,29) | ANXCHZIDDDAYHW-UHFFFAOYSA-N | CC1=C(C(=NO1)C)C2=CC(=NC(=N2)NC3=CC=C(C=C3)C4(CCC4)C(=O)O)N5CCN(CC5)C(=O)C | C26H30N6O4 | CC1=C(C(=NO1)C)C2=CC(=NC(=N2)NC3=CC=C(C=C3)C4(CCC4)C(=O)O)N5CCN(CC5)C(=O)C | 1-[4-[[4-(4-acetylpiperazin-1-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylic acid | 1-(4-{[4-(4-acetylpiperazin-1-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino}phenyl)cyclobutane-1-carboxylic acid | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0000284","CHEMONTID:0003901","CHEMONTID:0001262","CHEMONTID:0003886","CHEMONTID:0001664","CHEMONTID:0003922","CHEMONTID:0000081","CHEMONTID:0004144","CHEMONTID:0004176","CHEMONTID:0002451","CHEMONTID:0004140","CHEMONTID:0001137","CHEMONTID:0001205","CHEMONTID:000... | {"wo":1} | null |
InChI=1S/C21H12Cl2F6N6O/c1-34-18(23)15(16(33-34)21(27,28)29)19(36)32-11-5-3-2-4-10(11)12-6-7-13(17(22)31-12)35-14(8-9-30-35)20(24,25)26/h2-9H,1H3,(H,32,36) | ANXGTGLUBDMGIU-UHFFFAOYSA-N | CN1N=C(C(C(=O)NC2=C(C=CC=C2)C2=NC(Cl)=C(C=C2)N2N=CC=C2C(F)(F)F)=C1Cl)C(F)(F)F | C21H12Cl2F6N6O | null | null | 5-chloro-N-(2-{6-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-2-yl}phenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide | null | null | null |
InChI=1S/C22H21F2N5O/c1-13(27-22(30)18-5-4-8-26-20(18)21(23)24)10-16-6-7-19(17(11-16)12-25)29-15(3)9-14(2)28-29/h4-9,11,13,21H,10H2,1-3H3,(H,27,30) | ANXJAVDCOZQDHO-UHFFFAOYSA-N | CC(CC1=CC(C#N)=C(C=C1)N1N=C(C)C=C1C)NC(=O)C1=C(N=CC=C1)C(F)F | C22H21F2N5O | CC(CC1=CC(C#N)=C(C=C1)N1N=C(C)C=C1C)NC(=O)C1=C(N=CC=C1)C(F)F | null | N-{1-[3-cyano-4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]propan-2-yl}-2-(difluoromethyl)pyridine-3-carboxamide | null | null | null |
InChI=1S/C27H33ClF3NS2/c1-5-7-10-19(3)17-22(6-2)34-26(32-24-12-9-8-11-20(24)4)15-16-33-25-14-13-21(28)18-23(25)27(29,30)31/h8-9,11-16,18-19,22H,5-7,10,17H2,1-4H3/b16-15+,32-26? | ANXJIBGUFZSPOV-ZUIGUVEQSA-N | CCCCC(C)CC(CC)SC(\C=C\SC1=C(C=C(Cl)C=C1)C(F)(F)F)=NC1=C(C)C=CC=C1 | C27H33ClF3NS2 | null | null | (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]sulfanyl}-1-[(5-methylnonan-3-yl)sulfanyl]-N-(2-methylphenyl)prop-2-en-1-imine | null | null | null |
InChI=1S/C26H27N5O/c1-3-31(17-7-16-27)24-13-10-22(11-14-24)29-30-23-12-15-25(20(2)18-23)26(32)19-28-21-8-5-4-6-9-21/h4-6,8-15,18,28H,3,7,17,19H2,1-2H3 | ANXLVHBBAKGPEL-UHFFFAOYSA-N | CCN(CCC#N)C1=CC=C(C=C1)N=NC1=CC(C)=C(C=C1)C(=O)CNC1=CC=CC=C1 | C26H27N5O | null | null | 3-{ethyl[4-(2-{3-methyl-4-[2-(phenylamino)acetyl]phenyl}diazen-1-yl)phenyl]amino}propanenitrile | null | null | null |
InChI=1S/C26H37N5O4S/c1-7-31(18(2)3)23(32)21-19(8-13-36-21)34-20-14-27-17-28-22(20)30-15-26(16-30)9-11-29(12-10-26)24(33)35-25(4,5)6/h8,13-14,17-18H,7,9-12,15-16H2,1-6H3 | ANXNQXZADBGYHV-UHFFFAOYSA-N | CCN(C(C)C)C(=O)C1=C(OC2=CN=CN=C2N2CC3(C2)CCN(CC3)C(=O)OC(C)(C)C)C=CS1 | C26H37N5O4S | null | null | tert-butyl 2-[5-({2-[ethyl(propan-2-yl)carbamoyl]thiophen-3-yl}oxy)pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate | null | null | null |
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