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/C18H18ClN3O3S/c1-21-18(23)22(17(20-21)24-2)11-13-10-15(8-9-16(13)19)26-12-25-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3 | AQWKZYFWAFTOJM-UHFFFAOYSA-N | COC1=NN(C)C(=O)N1CC1=CC(SCOC2=CC=CC=C2)=CC=C1Cl | C18H18ClN3O3S | null | null | 4-({2-chloro-5-[(phenoxymethyl)sulfanyl]phenyl}methyl)-3-methoxy-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one | null | null | null |
InChI=1S/C20H16F3N5O2S/c1-11-25-17(20(21,22)23)16(31-11)19(29)28(12-6-7-12)8-9-30-18-15(10-24)26-13-4-2-3-5-14(13)27-18/h2-5,12H,6-9H2,1H3 | AQWLXZNHBUYSDP-UHFFFAOYSA-N | CC1=NC(=C(S1)C(=O)N(CCOC1=NC2=C(C=CC=C2)N=C1C#N)C1CC1)C(F)(F)F | C20H16F3N5O2S | null | null | N-{2-[(3-cyanoquinoxalin-2-yl)oxy]ethyl}-N-cyclopropyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide | null | null | null |
InChI=1S/C17H9Cl2NOS/c18-12-7-3-4-8-14(12)21-15-9-13-16(22-17(19)20-13)11-6-2-1-5-10(11)15/h1-9H | AQWNSRQQMOEISJ-UHFFFAOYSA-N | ClC1=NC2=C(S1)C1=CC=CC=C1C(OC1=C(Cl)C=CC=C1)=C2 | C17H9Cl2NOS | null | null | 2-chloro-5-(2-chlorophenoxy)naphtho[2,1-d][1,3]thiazole | null | null | null |
InChI=1S/C17H16O4/c18-12-6-7-13(19)16-15(12)14(20)9-11(17(16)21)8-10-4-2-1-3-5-10/h6-9,18-19H,1-5H2 | AQWWDCZKMVONHO-UHFFFAOYSA-N | OC1=C2C(=O)C=C(C=C3CCCCC3)C(=O)C2=C(O)C=C1 | C17H16O4 | null | null | 2-(cyclohexylidenemethyl)-5,8-dihydroxy-1,4-dihydronaphthalene-1,4-dione | null | null | null |
InChI=1S/C21H16ClN7O3/c1-32-16-8-2-13(3-9-16)11-24-19-17(10-23)20(28-21(27-19)18(22)12-25-28)26-14-4-6-15(7-5-14)29(30)31/h2-9,12,26H,11H2,1H3,(H,24,27) | AQWYQPJTUGYZPF-UHFFFAOYSA-N | COC1=CC=C(CNC2=NC3=C(Cl)C=NN3C(NC3=CC=C(C=C3)[N](=O)=O)=C2C#N)C=C1 | C21H16ClN7O3 | COC1=CC=C(C=C1)CNC2=NC3=C(C=NN3C(=C2C#N)NC4=CC=C(C=C4)[N+](=O)[O-])Cl | 3-chloro-5-[(4-methoxyphenyl)methylamino]-7-(4-nitroanilino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile | 3-chloro-5-{[(4-methoxyphenyl)methyl]amino}-7-[(4-nitrophenyl)amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile | {"alternativeParents":["CHEMONTID:0000036","CHEMONTID:0004742","CHEMONTID:0000284","CHEMONTID:0000138","CHEMONTID:0002673","CHEMONTID:0004113","CHEMONTID:0004612","CHEMONTID:0000128","CHEMONTID:0001262","CHEMONTID:0001030","CHEMONTID:0003886","CHEMONTID:0004144","CHEMONTID:0000087","CHEMONTID:0001508","CHEMONTID:000413... | {"jp":1} | null |
InChI=1S/C22H19BrF3IN6O2/c1-12(2)18-10-28-20(22(24,25)26)32(18)13-7-8-19(15(23)9-13)35-11-14-16(27)5-4-6-17(14)33-21(34)31(3)29-30-33/h4-10,12H,11H2,1-3H3 | AQWZJGSGVAMFBR-UHFFFAOYSA-N | CC(C)C1=CN=C(N1C1=CC(Br)=C(OCC2=C(C=CC=C2I)N2N=NN(C)C2=O)C=C1)C(F)(F)F | C22H19BrF3IN6O2 | null | null | 1-[2-({2-bromo-4-[5-(propan-2-yl)-2-(trifluoromethyl)-1H-imidazol-1-yl]phenoxy}methyl)-3-iodophenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C38H24ClN5O2S/c1-23-41-42-38(47-23)44-34(25-12-6-3-7-13-25)33(24-10-4-2-5-11-24)31-22-28(20-21-29(31)36(44)45)43-35(26-16-18-27(39)19-17-26)40-32-15-9-8-14-30(32)37(43)46/h2-22H,1H3 | AQWZZEMFWIEXJC-UHFFFAOYSA-N | CC1=NN=C(S1)N1C(=O)C2=CC=C(C=C2C(C2=CC=CC=C2)=C1C1=CC=CC=C1)N1C(=O)C2=CC=CC=C2N=C1C1=CC=C(Cl)C=C1 | C38H24ClN5O2S | CC1=NN=C(S1)N1C(=O)C2=CC=C(C=C2C(C2=CC=CC=C2)=C1C1=CC=CC=C1)N1C(=O)C2=CC=CC=C2N=C1C1=CC=C(Cl)C=C1 | 2-(4-chlorophenyl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-diphenylisoquinolin-6-yl]quinazolin-4-one | 2-(4-chlorophenyl)-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-diphenyl-1,2-dihydroisoquinolin-6-yl]-3,4-dihydroquinazolin-4-one | {"alternativeParents":["CHEMONTID:0002054","CHEMONTID:0000485","CHEMONTID:0000291","CHEMONTID:0001160","CHEMONTID:0001099","CHEMONTID:0001030","CHEMONTID:0000093","CHEMONTID:0004144","CHEMONTID:0000160","CHEMONTID:0004139","CHEMONTID:0000323","CHEMONTID:0000278","CHEMONTID:0001516","CHEMONTID:0003940","CHEMONTID:000415... | null | null |
InChI=1S/C19H14F3N5O4S/c1-23-32(29,30)15-9-14(31-13-5-3-2-4-6-13)10-24-17(15)27-18(28)26-11-12(19(20,21)22)7-8-16(26)25-27/h2-11,23H,1H3 | AQXKHDSBJMPSER-UHFFFAOYSA-N | CN[S](=O)(=O)C1=C(N=CC(OC2=CC=CC=C2)=C1)N1N=C2C=CC(=CN2C1=O)C(F)(F)F | C19H14F3N5O4S | null | null | N-methyl-2-[3-oxo-6-(trifluoromethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-5-phenoxypyridine-3-sulfonamide | null | null | null |
InChI=1S/C20H20F3N/c1-5-13-11-24-12-16(21)17(13)18(19(22)23)14-7-9-15(10-8-14)20(3,4)6-2/h5,7-12H,1,6H2,2-4H3 | AQXNJGDNONNSKS-UHFFFAOYSA-N | CCC(C)(C)C1=CC=C(C=C1)C(=C(F)F)C1=C(F)C=NC=C1C=C | C20H20F3N | null | null | 4-{2,2-difluoro-1-[4-(2-methylbutan-2-yl)phenyl]ethenyl}-3-ethenyl-5-fluoropyridine | null | null | null |
InChI=1S/C19H28N4O7S/c1-5-6-8-31(20,29)9-7-22-17(27)15(21-23(30-4)18(22)28)16(26)14-12(24)10-19(2,3)11-13(14)25/h20,24H,5-11H2,1-4H3 | AQXPVAPINQAKIH-UHFFFAOYSA-N | CCCC[S](=N)(=O)CCN1C(=O)N(OC)N=C(C(=O)C2=C(O)CC(C)(C)CC2=O)C1=O | C19H28N4O7S | null | null | 4-{2-[butyl(imino)oxo-λ⁶-sulfanyl]ethyl}-6-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbonyl)-2-methoxy-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione | null | null | null |
InChI=1S/C107H180N32O36S/c1-17-51(11)79(132-97(165)77(49(7)8)129-85(153)58(108)36-57-37-113-46-118-57)99(167)123-62(35-47(3)4)89(157)135-82(54(14)145)101(169)122-61(28-30-72(110)149)103(171)139-34-22-26-70(139)104(172)137-32-21-25-69(137)94(162)124-65(43-142)91(159)131-76(48(5)6)96(164)125-63(41-140)86(154)115-40-75(15... | AQXQTLUYBCVXMX-YFUAVYDGSA-N | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CN=CN1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@... | C107H180N32O36S | CCC(C)C(NC(=O)C(NC(=O)C(N)CC1=CN=CN1)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NCC(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NCC(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(C... | null | (2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S,3S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanamido]-3-methylbutanamido]-3-methylpentanamido]-4-methylpentanamido]-3-hydroxybutana... | null | null | null |
InChI=1S/C16H16ClFN2OS/c1-10(2)6-7-14(22)15-12(18)4-3-5-13(15)21-16-19-8-11(17)9-20-16/h3-5,8-10H,6-7H2,1-2H3 | AQXRFWBHGOVQMQ-UHFFFAOYSA-N | CC(C)CCC(=S)C1=C(OC2=NC=C(Cl)C=N2)C=CC=C1F | C16H16ClFN2OS | CC(C)CCC(=S)C1=C(OC2=NC=C(Cl)C=N2)C=CC=C1F | null | 1-{2-[(5-chloropyrimidin-2-yl)oxy]-6-fluorophenyl}-4-methylpentane-1-thione | null | null | null |
InChI=1S/C21H21F3N4O2/c1-13-15(6-4-7-16(13)21(22,23)24)20(30)9-11-28(12-10-20)19(29)25-18-14-5-2-3-8-17(14)26-27-18/h2-8,30H,9-12H2,1H3,(H2,25,26,27,29) | AQXRIVQGFXHULY-UHFFFAOYSA-N | CC1=C(C=CC=C1C(F)(F)F)C2(CCN(CC2)C(=O)NC3=NNC4=CC=CC=C43)O | C21H21F3N4O2 | CC1=C(C=CC=C1C(F)(F)F)C2(CCN(CC2)C(=O)NC3=NNC4=CC=CC=C43)O | 4-hydroxy-N-(1H-indazol-3-yl)-4-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide | 4-hydroxy-N-(1H-indazol-3-yl)-4-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0004551","CHEMONTID:0002312","CHEMONTID:0000080","CHEMONTID:0001091","CHEMONTID:0003886","CHEMONTID:0001670","CHEMONTID:0000087","CHEMONTID:0004144","CHEMONTID:0000517","CHEMONTID:0002452","CHEMONTID:0004139","CHEMONTID:0004150","CHEMONTID:0003940","CHEMONTID:000... | {"ep":2,"us":2} | null |
InChI=1S/C41H66N12O12/c1-20(2)31(43)38(62)53-32(21(3)4)39(63)51-25(13-10-18-46-41(44)45)35(59)52-28(19-24-11-8-7-9-12-24)37(61)50-26(14-16-29(42)54)36(60)49-27(15-17-30(55)56)34(58)47-22(5)33(57)48-23(6)40(64)65/h7-9,11-12,20-23,25-28,31-32H,10,13-19,43H2,1-6H3,(H2,42,54)(H,47,58)(H,48,57)(H,49,60)(H,50,61)(H,51,63)(H,... | AQXRWMQDNRLPJT-NVKAFBBPSA-N | CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O | C41H66N12O12 | null | null | (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid | null | null | null |
InChI=1S/C37H23N3/c38-24-29-13-7-8-14-33(29)31-21-30(25-9-3-1-4-10-25)22-32(23-31)35-20-18-28-16-15-27-17-19-34(26-11-5-2-6-12-26)39-36(27)37(28)40-35/h1-23H | AQXSSPDLGMKXOT-UHFFFAOYSA-N | N#CC1=C(C=CC=C1)C1=CC(=CC(=C1)C1=NC2=C3N=C(C=CC3=CC=C2C=C1)C1=CC=CC=C1)C1=CC=CC=C1 | C37H23N3 | N#CC1=C(C=CC=C1)C1=CC(=CC(=C1)C1=NC2=C3N=C(C=CC3=CC=C2C=C1)C1=CC=CC=C1)C1=CC=CC=C1 | null | 2-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-[1,1'-biphenyl]-3-yl]benzonitrile | null | null | null |
InChI=1S/C24H23ClF4N4O/c1-14(34)30-18-8-10-33(11-9-18)13-21-22(15-2-5-17(26)6-3-15)32-23(31-21)16-4-7-20(25)19(12-16)24(27,28)29/h2-7,12,18H,8-11,13H2,1H3,(H,30,34)(H,31,32) | AQXUWXUXBDIWAU-UHFFFAOYSA-N | CC(=O)NC1CCN(CC2=C(NC(=N2)C2=CC(=C(Cl)C=C2)C(F)(F)F)C2=CC=C(F)C=C2)CC1 | C24H23ClF4N4O | CC(=O)NC1CCN(CC2=C(NC(=N2)C2=CC(=C(Cl)C=C2)C(F)(F)F)C2=CC=C(F)C=C2)CC1 | null | N-[1-({2-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-1H-imidazol-4-yl}methyl)piperidin-4-yl]acetamide | null | null | null |
InChI=1S/C21H18BrF3N2O5/c1-30-19-15(20(29)31-2)7-12(10-27-19)16(9-26)14(13-5-3-4-6-17(13)22)8-18(28)32-11-21(23,24)25/h3-7,10,14,16H,8,11H2,1-2H3/t14-,16+/m1/s1 | AQXWBJQGMWTTFL-ZBFHGGJFSA-N | COC(=O)C1=CC(=CN=C1OC)[C@H](C#N)[C@H](CC(=O)OCC(F)(F)F)C1=C(Br)C=CC=C1 | C21H18BrF3N2O5 | null | null | methyl 5-[(1R,2S)-2-(2-bromophenyl)-1-cyano-4-oxo-4-(2,2,2-trifluoroethoxy)butyl]-2-methoxypyridine-3-carboxylate | null | null | null |
InChI=1S/C19H15Br2FN2O3/c20-12-2-4-18(24-8-12)14(6-19(25)27-13-9-26-10-13)15(7-23)11-1-3-16(21)17(22)5-11/h1-5,8,13-15H,6,9-10H2/t14-,15-/m0/s1 | AQXXSNGDHSANJU-PTTDRDKLSA-N | FC1=C(Br)C=CC(=C1)[C@H](C#N)[C@H](CC(=O)OC1COC1)C1=CC=C(Br)C=N1 | C19H15Br2FN2O3 | null | null | oxetan-3-yl (3S,4R)-4-(4-bromo-3-fluorophenyl)-3-(5-bromopyridin-2-yl)-4-cyanobutanoate | null | null | null |
InChI=1S/C15H18N2.ClH/c16-11-15-6-3-9-17(15)14-8-7-12-4-1-2-5-13(12)10-14;/h1-2,4-5,7-8,10,15H,3,6,9,11,16H2;1H | AQXYAWBXFXZIPU-UHFFFAOYSA-N | C1CC(N(C1)C2=CC3=CC=CC=C3C=C2)CN.Cl | C15H19ClN2 | C1CC(N(C1)C2=CC3=CC=CC=C3C=C2)CN.Cl | (1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride | 1-[1-(naphthalen-2-yl)pyrrolidin-2-yl]methanamine hydrochloride | {"alternativeParents":["CHEMONTID:0003901","CHEMONTID:0000218","CHEMONTID:0004139","CHEMONTID:0000469","CHEMONTID:0003921","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000023","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromatic heteropolycyclic compounds","substituents":["Naphthalene"... | null | null |
InChI=1S/C16H32N4.4CN.2Au.2H2O/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13;4*1-2;;;;/h19-20H,7-12H2,1-6H3;;;;;;;2*1H2/q;4*-1;2*+1;;/p+2/b17-13+,18-14+;;;;;;;; | AQXZKUHYVDFCCM-LIIKXLIUSA-P | C\C1=N/CCNC(C)(C)C\C(C)=N\CCNC(C)(C)C1.N#[C-][Au+][C-]#N.N#[C-][Au+][C-]#N.O.O.[H+].[H+] | C20H38Au2N8O2 | null | null | dihydrogen (4E,11E)-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene bis((cyanoaurio)(imino)methanuide) dihydrate | null | null | null |
InChI=1S/C23H16F4N6OS/c1-12-4-3-5-20(33-23(34)32(2)30-31-33)16(12)11-35-21-8-17(24)14(7-15(21)22(26)27)19-6-13(9-28)18(25)10-29-19/h3-8,10,22H,11H2,1-2H3 | AQXZWFRCZDQIMJ-UHFFFAOYSA-N | CN1N=NN(C1=O)C1=C(CSC2=C(C=C(C(F)=C2)C2=CC(C#N)=C(F)C=N2)C(F)F)C(C)=CC=C1 | C23H16F4N6OS | null | null | 2-[5-(difluoromethyl)-2-fluoro-4-({[2-methyl-6-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}sulfanyl)phenyl]-5-fluoropyridine-4-carbonitrile | null | null | null |
InChI=1S/C7H9N2/c1-2-7-3-4-8-6-9(7)5-1/h3-4,6H,1-2,5H2/q+1 | AQYBATOKNJVPBY-UHFFFAOYSA-N | C1CC2=[N+](C1)C=NC=C2 | C7H9N2 | C1CC2=[N+](C1)C=NC=C2 | 6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-8-ium | 5H,6H,7H-8λ⁵-pyrrolo[1,2-c]pyrimidin-8-ylium | null | null | null |
InChI=1S/C17H15N3O3/c1-2-23-17(22)15-10-11-9-12(6-7-13(11)20-15)19-16(21)14-5-3-4-8-18-14/h3-10,20H,2H2,1H3,(H,19,21) | AQYBQANPZASCBB-UHFFFAOYSA-N | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC=CC=N3 | C17H15N3O3 | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC=CC=N3 | ethyl 5-(pyridine-2-carbonylamino)-1H-indole-2-carboxylate | ethyl 5-(pyridine-2-amido)-1H-indole-2-carboxylate | null | null | null |
InChI=1S/C25H34O2/c1-19(11-7-8-14-22(4)24(26)27)12-9-13-20(2)16-17-23-21(3)15-10-18-25(23,5)6/h7-9,11-14,16-17H,10,15,18H2,1-6H3,(H,26,27)/b8-7+,12-9+,17-16+,19-11+,20-13+,22-14+ | AQYCHKYBQMYQCM-UPFRCXMFSA-N | C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)C(O)=O | C25H34O2 | CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C(O)=O | (2E,4E,6E,8E,10E,12E)-2,7,11-trimethyl-13-(2,6,6-trimethylcyclohexen-1-yl)trideca-2,4,6,8,10,12-hexaenoic acid | (2E,4E,6E,8E,10E,12E)-2,7,11-trimethyl-13-(2,6,6-trimethylcyclohex-1-en-1-yl)trideca-2,4,6,8,10,12-hexaenoic acid | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0002949","CHEMONTID:0003544","CHEMONTID:0000339","CHEMONTID:0001137","CHEMONTID:0001205","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"substituents":["Diterpenoid","Long-chain fatty acid","Branched fatty acid","Methyl-branched fatty acid","Fatty a... | {"ep":3,"us":3} | null |
InChI=1S/C11H10ClF3O3/c1-17-4-5-18-9-6-7(12)2-3-8(9)10(16)11(13,14)15/h2-3,6H,4-5H2,1H3 | AQYIVHILFNBNDN-UHFFFAOYSA-N | COCCOC1=C(C=CC(=C1)Cl)C(=O)C(F)(F)F | C11H10ClF3O3 | COCCOC1=C(C=CC(=C1)Cl)C(=O)C(F)(F)F | 1-[4-chloro-2-(2-methoxyethoxy)phenyl]-2,2,2-trifluoroethanone | 1-[4-chloro-2-(2-methoxyethoxy)phenyl]-2,2,2-trifluoroethan-1-one | null | {"ep":1,"jp":1,"us":4} | null |
InChI=1S/C22H31N3O2.ClH/c1-18(2)17-27-21-12-6-5-11-20(21)25(15-8-7-14-24(3)4)22(26)19-10-9-13-23-16-19;/h5-6,9-13,16,18H,7-8,14-15,17H2,1-4H3;1H | AQYJICNFYRJPPR-UHFFFAOYSA-N | Cl.CC(C)COC1=C(C=CC=C1)N(CCCCN(C)C)C(=O)C1=CN=CC=C1 | C22H32ClN3O2 | null | null | N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]pyridine-3-carboxamide hydrochloride | null | null | null |
InChI=1S/C17H9FN6O4/c18-11-8-20-17(21-9-11)27-16-12(24(25)26)6-7-19-13(16)14-15(28-23-22-14)10-4-2-1-3-5-10/h1-9H | AQYKVPXUZMKXRL-UHFFFAOYSA-N | FC1=CN=C(OC2=C(N=CC=C2[N](=O)=O)C2=C(ON=N2)C2=CC=CC=C2)N=C1 | C17H9FN6O4 | null | null | 5-fluoro-2-{[4-nitro-2-(5-phenyl-1,2,3-oxadiazol-4-yl)pyridin-3-yl]oxy}pyrimidine | null | null | null |
InChI=1S/C27H35NO3/c1-3-5-6-13-18-28-24-20-27(30,22-16-11-8-12-17-22)19-23(21-14-9-7-10-15-21)25(24)26(29)31-4-2/h7-12,14-17,23,28,30H,3-6,13,18-20H2,1-2H3/t23-,27+/m1/s1 | AQYNITFVSVCZHS-IURJKKLASA-N | CCCCCCNC1=C([C@H](C[C@](O)(C1)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OCC | C27H35NO3 | CCCCCCNC1=C(C(CC(O)(C1)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OCC | null | ethyl (4S,6R)-2-(hexylamino)-4-hydroxy-4,6-diphenylcyclohex-1-ene-1-carboxylate | null | null | null |
InChI=1S/C25H28BrF4N5O/c1-13(2)17-11-19(35-9-8-20(26)31-35)18(14(3)4)10-15(17)12-34(16-6-7-16)24(36)21-22(25(28,29)30)32-33(5)23(21)27/h8-11,13-14,16H,6-7,12H2,1-5H3 | AQYODAVHGILBDP-UHFFFAOYSA-N | CC(C)C1=CC(CN(C2CC2)C(=O)C2=C(F)N(C)N=C2C(F)(F)F)=C(C=C1N1C=CC(Br)=N1)C(C)C | C25H28BrF4N5O | CC(C)C1=CC(CN(C2CC2)C(=O)C2=C(F)N(C)N=C2C(F)(F)F)=C(C=C1N1C=CC(Br)=N1)C(C)C | null | N-{[4-(3-bromo-1H-pyrazol-1-yl)-2,5-bis(propan-2-yl)phenyl]methyl}-N-cyclopropyl-5-fluoro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide | null | null | null |
InChI=1S/C26H25F6N3O4S/c1-14-6-8-18(9-7-14)40(38,39)35-20-5-3-2-4-19(20)34-22-21(23(36)24(22)37)33-13-15-10-16(25(27,28)29)12-17(11-15)26(30,31)32/h6-12,19-20,33-35H,2-5,13H2,1H3/t19-,20-/m1/s1 | AQYPWCCLOKODKJ-WOJBJXKFSA-N | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCCC[C@H]2NC3=C(C(=O)C3=O)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F | C26H25F6N3O4S | Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2Nc2c(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c2=O)cc1 | N-[(1R,2R)-2-[[2-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3,4-dioxocyclobuten-1-yl]amino]cyclohexyl]-4-methylbenzenesulfonamide | N-[(1R,2R)-2-{[2-({[3,5-bis(trifluoromethyl)phenyl]methyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}cyclohexyl]-4-methylbenzene-1-sulfonamide | null | null | null |
InChI=1S/C21H25NO5.C12H23N/c1-2-25-20(21(23)24)15-16-7-9-17(10-8-16)26-13-11-22-12-14-27-19-6-4-3-5-18(19)22;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-10,20H,2,11-15H2,1H3,(H,23,24);11-13H,1-10H2 | AQYRTJBHVNDIRV-UHFFFAOYSA-N | CCOC(CC1=CC=C(C=C1)OCCN2CCOC3=CC=CC=C32)C(=O)O.C1CCC(CC1)NC2CCCCC2 | C33H48N2O5 | CCOC(CC1=CC=C(C=C1)OCCN2CCOC3=CC=CC=C32)C(=O)O.C1CCC(CC1)NC2CCCCC2 | N-cyclohexylcyclohexanamine;3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-ethoxypropanoic acid | 3-{4-[2-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethoxy]phenyl}-2-ethoxypropanoic acid; N-cyclohexylcyclohexanamine | {"alternativeParents":["CHEMONTID:0002108","CHEMONTID:0001396","CHEMONTID:0004742","CHEMONTID:0002341","CHEMONTID:0003901","CHEMONTID:0000128","CHEMONTID:0002674","CHEMONTID:0004176","CHEMONTID:0004140","CHEMONTID:0004139","CHEMONTID:0001137","CHEMONTID:0001167","CHEMONTID:0002228","CHEMONTID:0001205","CHEMONTID:000394... | {"us":1,"wo":1} | null |
InChI=1S/C29H30N6O3/c1-19-30-14-15-34(19)22-9-13-25(27(17-22)33(2)3)31-29(36)28-24-12-6-20(18-37-4)16-26(24)32-35(28)21-7-10-23(38-5)11-8-21/h6-17H,18H2,1-5H3,(H,31,36) | AQYRVGRSFVSVKZ-UHFFFAOYSA-N | COCC1=CC2=NN(C(C(=O)NC3=C(C=C(C=C3)N3C=CN=C3C)N(C)C)=C2C=C1)C1=CC=C(OC)C=C1 | C29H30N6O3 | null | null | N-[2-(dimethylamino)-4-(2-methyl-1H-imidazol-1-yl)phenyl]-6-(methoxymethyl)-2-(4-methoxyphenyl)-2H-indazole-3-carboxamide | null | null | null |
InChI=1S/C22H21ClF3N3O3SSi/c1-13-9-19(14(2)8-15(13)6-7-34(3,4)5)33(31,32)28-21(30)18-12-29-11-16(22(24,25)26)10-17(23)20(29)27-18/h8-12H,1-5H3,(H,28,30) | AQYWICXZPCOUQB-UHFFFAOYSA-N | CC1=CC(=C(C)C=C1C#C[Si](C)(C)C)[S](=O)(=O)NC(=O)C1=CN2C=C(C=C(Cl)C2=N1)C(F)(F)F | C22H21ClF3N3O3SSi | null | null | 8-chloro-N-{2,5-dimethyl-4-[2-(trimethylsilyl)ethynyl]benzenesulfonyl}-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide | null | null | null |
InChI=1S/C29H38F3NS2/c1-7-20(2)11-8-9-13-24(6)35-27(33-25-16-15-21(3)23(5)19-25)17-18-34-26-14-10-12-22(4)28(26)29(30,31)32/h10,12,14-20,24H,7-9,11,13H2,1-6H3/b18-17+,33-27? | AQZBAPBDTRHYSR-RJWIBHIUSA-N | CCC(C)CCCCC(C)SC(\C=C\SC1=C(C(C)=CC=C1)C(F)(F)F)=NC1=CC(C)=C(C)C=C1 | C29H38F3NS2 | null | null | (2E)-N-(3,4-dimethylphenyl)-3-{[3-methyl-2-(trifluoromethyl)phenyl]sulfanyl}-1-[(7-methylnonan-2-yl)sulfanyl]prop-2-en-1-imine | null | null | null |
InChI=1S/C12H11NO5/c1-5-6-4-9(14)7(12(17)18-2)3-8(6)13-10(5)11(15)16/h3-4,13-14H,1-2H3,(H,15,16) | AQZDYLJYTPNCRS-UHFFFAOYSA-N | COC(=O)C1=C(O)C=C2C(C)=C(NC2=C1)C(O)=O | C12H11NO5 | null | null | 5-hydroxy-6-(methoxycarbonyl)-3-methyl-1H-indole-2-carboxylic acid | null | null | null |
InChI=1S/C19H15F3N4OS2/c1-3-8-26(16-18(28-4-2)25-9-6-5-7-15(25)24-16)17(27)13-10-14(12-23-11-13)29-19(20,21)22/h1,5-7,9-12H,4,8H2,2H3 | AQZGYDJAJMRQRD-UHFFFAOYSA-N | CCSC1=C(N=C2C=CC=CN12)N(CC#C)C(=O)C1=CN=CC(SC(F)(F)F)=C1 | C19H15F3N4OS2 | null | null | N-[3-(ethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]-N-(prop-2-yn-1-yl)-5-[(trifluoromethyl)sulfanyl]pyridine-3-carboxamide | null | null | null |
InChI=1S/C29H29BrN6O5.ClH/c1-15(37)24-21-12-18(27(29(40)41)36(21)28(24)39)16-10-19-17-4-6-32(2)22(26(17)33(3)25(19)20(30)11-16)13-35-9-8-34(14-35)7-5-23(31)38;/h4,6,8-11,14-15,21,24,37H,5,7,12-13H2,1-3H3,(H-2,31,38,40,41);1H/t15-,21-,24-;/m1./s1 | AQZIMLGHGCTOBS-NPPDTCIWSA-N | [Cl-].[H][C@]12CC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O)C1=CC(Br)=C2N(C)C3=C(C[N+]4=CN(CCC(N)=O)C=C4)[N+](C)=CC=C3C2=C1 | C29H30BrClN6O5 | null | null | 3-({8-bromo-6-[(5R,6S)-2-carboxylato-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]-2,9-dimethyl-9H-pyrido[3,4-b]indol-2-ium-1-yl}methyl)-1-(2-carbamoylethyl)-1H-imidazol-3-ium chloride | null | null | null |
InChI=1S/C27H18ClF9N6O8S2/c1-24(2,46)22(44)49-19(20(52)48-10-11-6-4-3-5-7-11)50-23(45)40-18-15(53(47)27(35,36)37)14(16-39-21(51-42-16)26(32,33)34)41-43(18)17-13(28)8-12(9-38-17)25(29,30)31/h3-9,19,46H,10H2,1-2H3,(H,40,45) | AQZJAMDUSHJVJH-UHFFFAOYSA-N | CC(C)(O)C(=O)OC(OC(=O)NC1=C(C(=NN1C1=C(Cl)C=C(C=N1)C(F)(F)F)C1=NOC(=N1)C(F)(F)F)[S](=O)C(F)(F)F)C(=S)OCC1=CC=CC=C1 | C27H18ClF9N6O8S2 | null | null | 2-(benzyloxy)-1-[({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-trifluoromethanesulfinyl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-pyrazol-5-yl}carbamoyl)oxy]-2-sulfanylideneethyl 2-hydroxy-2-methylpropanoate | null | null | null |
InChI=1S/C19H20ClF4N3O4S/c1-10(9-31-3)25-16(28)4-5-32-14-7-13(12(21)6-11(14)20)27-17(29)8-15(19(22,23)24)26(2)18(27)30/h6-8,10H,4-5,9H2,1-3H3,(H,25,28) | AQZKERUOYBQQGD-UHFFFAOYSA-N | COCC(C)NC(=O)CCSC1=C(Cl)C=C(F)C(=C1)N1C(=O)C=C(N(C)C1=O)C(F)(F)F | C19H20ClF4N3O4S | null | null | 3-({2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenyl}sulfanyl)-N-(1-methoxypropan-2-yl)propanamide | null | null | null |
InChI=1S/C67H49NS/c1-65(2)53-27-10-8-21-46(53)47-40-39-45(41-60(47)65)68(44-37-35-43(36-38-44)42-19-6-5-7-20-42)61-34-18-26-51-50-25-16-24-49(63(50)69-64(51)61)48-23-17-33-59-62(48)52-22-9-11-28-54(52)67(59)57-31-14-12-29-55(57)66(3,4)56-30-13-15-32-58(56)67/h5-41H,1-4H3 | AQZNNCUJPMZULB-UHFFFAOYSA-N | CC1(C2=CC=CC=C2C3(C4=CC=CC=C4C5=C(C=CC=C53)C6=CC=CC7=C6SC8=C7C=CC=C8N(C9=CC=C(C=C9)C2=CC=CC=C2)C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC=CC=C21)C | C67H49NS | CC1(C2=CC=CC=C2C3(C4=CC=CC=C4C5=C(C=CC=C53)C6=CC=CC7=C6SC8=C7C=CC=C8N(C9=CC=C(C=C9)C2=CC=CC=C2)C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC=CC=C21)C | N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine | N-{[1,1'-biphenyl]-4-yl}-10-{10,10-dimethyl-10H-spiro[anthracene-9,9'-fluoren]-4'-yl}-N-(9,9-dimethyl-9H-fluoren-2-yl)-8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine | null | null | null |
InChI=1S/C14H12BrClSi/c1-17(2)12-7-6-9(15)8-10(12)14-11(16)4-3-5-13(14)17/h3-8H,1-2H3 | AQZNSKGKRGQMRU-UHFFFAOYSA-N | C[Si]1(C2=C(C(=CC=C2)Cl)C3=C1C=CC(=C3)Br)C | C14H12BrClSi | C[Si]1(C2=C(C(=CC=C2)Cl)C3=C1C=CC(=C3)Br)C | 2-bromo-9-chloro-5,5-dimethylbenzo[b][1]benzosilole | 12-bromo-3-chloro-8,8-dimethyl-8-silatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaene | null | null | null |
InChI=1S/C24H35N5O4/c1-23(2,3)33-22(31)29-13-9-24(17-25,10-14-29)21(30)28-11-7-19(8-12-28)26-15-18-5-6-20(32-4)27-16-18/h5-6,16,19,26H,7-15H2,1-4H3 | AQZOPTKZAYWRHP-UHFFFAOYSA-N | COC1=NC=C(CNC2CCN(CC2)C(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C#N)C=C1 | C24H35N5O4 | COC1=NC=C(CNC2CCN(CC2)C(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C#N)C=C1 | null | tert-butyl 4-cyano-4-(4-{[(6-methoxypyridin-3-yl)methyl]amino}piperidine-1-carbonyl)piperidine-1-carboxylate | null | null | null |
InChI=1S/C20H19FN6O5S2/c1-11-7-12(8-17(22-11)34(4,29)30)15-10-33-19(23-15)32-9-13-16(31-3)6-5-14(21)18(13)27-20(28)26(2)24-25-27/h5-8,10H,9H2,1-4H3 | AQZPEQGSYAPJSY-UHFFFAOYSA-N | COC1=CC=C(F)C(N2N=NN(C)C2=O)=C1COC1=NC(=CS1)C1=CC(C)=NC(=C1)[S](C)(=O)=O | C20H19FN6O5S2 | null | null | 1-[6-fluoro-2-({[4-(2-methanesulfonyl-6-methylpyridin-4-yl)-1,3-thiazol-2-yl]oxy}methyl)-3-methoxyphenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C12H7ClF3NO2/c13-7-3-1-2-6(5-17)10(7)8(18)4-9(19)11(14)12(15)16/h1-3,11-12H,4H2 | AQZRNVSTLVHQFH-UHFFFAOYSA-N | FC(F)C(F)C(=O)CC(=O)C1=C(C=CC=C1Cl)C#N | C12H7ClF3NO2 | null | null | 3-chloro-2-(4,5,5-trifluoro-3-oxopentanoyl)benzonitrile | null | null | null |
InChI=1S/C33H27N3O3/c1-4-26-30(36(2)25-13-9-6-10-14-25)28(23-11-7-5-8-12-23)33(24-17-15-22(21-34)16-18-24)32(26,37)29-27(39-33)19-20-35-31(29)38-3/h1,5-20,26,28,30,37H,2-3H3/t26-,28+,30-,32+,33-/m0/s1 | AQZRXHCKTSOQAH-LHQXRQGASA-N | COC1=C2C(O[C@]3([C@@H]([C@H]([C@H](C#C)[C@@]23O)N(C)C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=C(C=C2)C#N)=CC=N1 | C33H27N3O3 | null | null | 4-[(2R,3S,4S,5R,6R)-3-ethynyl-2-hydroxy-12-methoxy-4-[methyl(phenyl)amino]-5-phenyl-7-oxa-11-azatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-6-yl]benzonitrile | null | null | null |
InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-8-7-17-10-13(18)11-5-4-6-12(16)9-11/h4-6,9,13,17H,7-8,10H2,1-3H3 | AQZSCLDFLZZVQI-UHFFFAOYSA-N | CC(C)(C)OC(=O)N1CCNCC1C1=CC(Br)=CC=C1 | C15H21BrN2O2 | CC(C)(C)OC(=O)N1CCNCC1C2=CC(=CC=C2)Br | tert-butyl 2-(3-bromophenyl)piperazine-1-carboxylate | tert-butyl 2-(3-bromophenyl)piperazine-1-carboxylate | {"alternativeParents":["CHEMONTID:0002410","CHEMONTID:0001098","CHEMONTID:0003899","CHEMONTID:0001029","CHEMONTID:0001162","CHEMONTID:0002452","CHEMONTID:0002228","CHEMONTID:0004139","CHEMONTID:0001515","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"CHEMONTID:0001984","intermediateNodes":[... | null | null |
InChI=1S/C30H28ClN3O/c1-30(2,3)32-26-27-22-14-13-20(31)17-24(22)29(35)33(27)16-15-23-21-11-7-8-12-25(21)34(28(23)26)18-19-9-5-4-6-10-19/h4-14,17,32H,15-16,18H2,1-3H3 | AQZSCXZZLPEUFE-UHFFFAOYSA-N | CC(C)(C)NC1=C2N(CCC3=C1N(CC1=CC=CC=C1)C1=CC=CC=C31)C(=O)C1=CC(Cl)=CC=C21 | C30H28ClN3O | null | null | 21-benzyl-2-(tert-butylamino)-7-chloro-11,21-diazapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(14),2,4,6,8,15,17,19-octaen-10-one | null | null | null |
InChI=1S/C14H17N3O/c1-11-14(10-17-6-8-18-9-7-17)16-13-5-3-2-4-12(13)15-11/h2-5H,6-10H2,1H3 | AQZVGDULEKMTJS-UHFFFAOYSA-N | CC1=NC2=C(C=CC=C2)N=C1CN1CCOCC1 | C14H17N3O | null | null | 2-methyl-3-[(morpholin-4-yl)methyl]quinoxaline | null | null | null |
InChI=1S/C100H167N27O35S2/c1-15-49(10)75(93(155)116-60(40-129)84(146)118-64(44-163)99(161)162)122-86(148)61(41-130)113-77(139)50(11)106-87(149)65-22-17-32-124(65)96(158)57(27-29-70(135)136)111-80(142)54(21-16-31-105-100(103)104)108-88(150)66-23-18-33-125(66)97(159)63(43-132)117-91(153)72(46(4)5)120-85(147)62(42-131)114... | AQZZMNYMADJQKA-MVRBXDPOSA-N | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C... | C100H167N27O35S2 | null | null | (4S)-4-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylbutanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]propanoyl]pyrrolidine-2-carbonyl]pyrrol... | null | null | null |
InChI=1S/C21H21N3O2/c1-21-15-10-6-5-9-14(15)18(21)16-11-12-17(21)24-20(26)22(19(25)23(16)24)13-7-3-2-4-8-13/h2-4,7-8,11-12,16-18H,5-6,9-10H2,1H3/i18D | ARABCTRWRNZYMF-VAAKKRCDSA-N | [2H]C12C3C=CC(C1(C4=C2CCCC4)C)N5N3C(=O)N(C5=O)C6=CC=CC=C6 | C21H21N3O2 | CC12C3C=CC(C1C4=C2CCCC4)N5N3C(=O)N(C5=O)C6=CC=CC=C6 | 2-deuterio-9-methyl-13-phenyl-11,13,15-triazapentacyclo[8.5.2.02,9.03,8.011,15]heptadeca-3(8),16-diene-12,14-dione | 2-methyl-13-phenyl(9-²H)-11,13,15-triazapentacyclo[8.5.2.0²,⁹.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),16-diene-12,14-dione | {"alternativeParents":["CHEMONTID:0003202","CHEMONTID:0002279","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0000323","CHEMONTID:0000278","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0003314","intermediateNodes":["CHEMONTID:0002183"],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromati... | null | null |
InChI=1S/C14H13ClN2O3/c1-2-4-12-16-8-11(14(19)20)13(18)17(12)10-6-3-5-9(15)7-10/h3,5-8H,2,4H2,1H3,(H,19,20) | ARABUKHAGRFBDD-UHFFFAOYSA-N | CCCC1=NC=C(C(O)=O)C(=O)N1C1=CC(Cl)=CC=C1 | C14H13ClN2O3 | null | null | 1-(3-chlorophenyl)-6-oxo-2-propyl-1,6-dihydropyrimidine-5-carboxylic acid | null | null | null |
InChI=1S/C30H23ClN4O3/c31-19-4-3-5-20(16-19)33-12-14-34(15-13-33)27(36)18-38-21-8-9-26-25(17-21)23-10-11-32-28-22-6-1-2-7-24(22)30(37)35(26)29(23)28/h1-11,16-17H,12-15,18H2 | ARAGUBVEFNMYSY-UHFFFAOYSA-N | C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC3=CC4=C(C=C3)N5C6=C4C=CN=C6C7=CC=CC=C7C5=O | C30H23ClN4O3 | C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC3=CC4=C(C=C3)N5C6=C4C=CN=C6C7=CC=CC=C7C5=O | 5-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one | 5-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy}-1,11-diazapentacyclo[10.7.1.0²,⁷.0⁸,²⁰.0¹³,¹⁸]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one | {"alternativeParents":["CHEMONTID:0001914","CHEMONTID:0001984","CHEMONTID:0003359","CHEMONTID:0002054","CHEMONTID:0001857","CHEMONTID:0000216","CHEMONTID:0002497","CHEMONTID:0002341","CHEMONTID:0003901","CHEMONTID:0000284","CHEMONTID:0001160","CHEMONTID:0000128","CHEMONTID:0001099","CHEMONTID:0001030","CHEMONTID:000166... | null | null |
InChI=1S/C42H65N11O16/c1-19(2)14-27(51-37(63)25(10-12-29(44)56)49-36(62)24(43)16-30(45)57)39(65)52-34(20(3)4)41(67)50-26(11-13-33(60)61)38(64)53-35(21(5)54)40(66)47-17-31(58)46-18-32(59)48-28(42(68)69)15-22-6-8-23(55)9-7-22/h6-9,19-21,24-28,34-35,54-55H,10-18,43H2,1-5H3,(H2,44,56)(H2,45,57)(H,46,58)(H,47,66)(H,48,59)(H... | ARAIBDYKPAVFJN-NIMWKPNBSA-N | CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O | C42H65N11O16 | null | null | (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-3-methylbutanamido]-4-{[(1S,2R)-1-({[({[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-2-hydroxypropyl]carbamoyl}butanoic acid | null | null | null |
InChI=1S/C37H47FN8O3/c1-4-34-31(35(42-29-11-17-49-18-12-29)32-23-41-46(5-2)36(32)43-34)22-40-37(48)39-21-26-9-10-33(38)30(20-26)28-8-6-7-27(19-28)24-44-13-15-45(16-14-44)25(3)47/h6-10,19-20,23,29H,4-5,11-18,21-22,24H2,1-3H3,(H,42,43)(H2,39,40,48) | ARAKGQAYFHNRFA-UHFFFAOYSA-N | CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)NCC4=CC(=C(C=C4)F)C5=CC=CC(=C5)CN6CCN(CC6)C(=O)C | C37H47FN8O3 | CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)NCC4=CC(=C(C=C4)F)C5=CC=CC(=C5)CN6CCN(CC6)C(=O)C | 1-[[3-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-fluorophenyl]methyl]-3-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]urea | 1-({3'-[(4-acetylpiperazin-1-yl)methyl]-6-fluoro-[1,1'-biphenyl]-3-yl}methyl)-3-({1,6-diethyl-4-[(oxan-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl}methyl)urea | {"alternativeParents":["CHEMONTID:0000304","CHEMONTID:0002673","CHEMONTID:0000185","CHEMONTID:0000283","CHEMONTID:0003899","CHEMONTID:0001100","CHEMONTID:0003357","CHEMONTID:0002458","CHEMONTID:0002012","CHEMONTID:0001031","CHEMONTID:0004144","CHEMONTID:0003922","CHEMONTID:0000087","CHEMONTID:0001664","CHEMONTID:000034... | null | null |
InChI=1S/C27H20O10/c1-5-23(28)33-18-11-17(12-19(13-18)34-24(29)6-2)9-10-27(32)37-22-15-20(35-25(30)7-3)14-21(16-22)36-26(31)8-4/h5-16H,1-4H2/b10-9+ | ARARACRYUUQGER-MDZDMXLPSA-N | C=CC(=O)OC1=CC(OC(=O)\C=C\C2=CC(OC(=O)C=C)=CC(OC(=O)C=C)=C2)=CC(OC(=O)C=C)=C1 | C27H20O10 | C=CC(=O)OC1=CC(=CC(=C1)C=CC(=O)OC2=CC(=CC(=C2)OC(=O)C=C)OC(=O)C=C)OC(=O)C=C | [3,5-di(prop-2-enoyloxy)phenyl] (E)-3-[3,5-di(prop-2-enoyloxy)phenyl]prop-2-enoate | 3,5-bis(prop-2-enoyloxy)phenyl (2E)-3-[3,5-bis(prop-2-enoyloxy)phenyl]prop-2-enoate | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0000059","CHEMONTID:0003480","CHEMONTID:0002319","CHEMONTID:0000037","CHEMONTID:0004742","CHEMONTID:0000324","CHEMONTID:0004452","CHEMONTID:0003626","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"substituents":["Pentacarboxylic acid or derivatives"... | {"ep":1,"us":3} | null |
InChI=1S/C19H16N2O/c1-3-7-14-10-11-17-16(12-14)19(15-8-5-4-6-9-15)20-13-18(22)21(17)2/h4-6,8-12H,13H2,1-2H3/i1D3 | ARASSECHRQFNDN-FIBGUPNXSA-N | [2H]C([2H])([2H])C#CC1=CC=C2N(C)C(=O)CN=C(C3=CC=CC=C3)C2=C1 | C19H16N2O | null | null | 1-methyl-5-phenyl-7-[(3,3,3-²H₃)prop-1-yn-1-yl]-2,3-dihydro-1H-1,4-benzodiazepin-2-one | null | null | null |
InChI=1S/C20H17F5N6O5S/c1-3-37(33,34)17-16(28-18-26-7-12(8-30(17)18)29-5-4-13(9-29)35-2)31-11-27-14(6-15(31)32)36-10-19(21,22)20(23,24)25/h4-9,11H,3,10H2,1-2H3 | ARAZSAONSXMOHT-UHFFFAOYSA-N | CC[S](=O)(=O)C1=C(N=C2N=CC(=CN12)N1C=CC(OC)=C1)N1C=NC(OCC(F)(F)C(F)(F)F)=CC1=O | C20H17F5N6O5S | null | null | 3-[3-(ethanesulfonyl)-6-(3-methoxy-1H-pyrrol-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-6-(2,2,3,3,3-pentafluoropropoxy)-3,4-dihydropyrimidin-4-one | null | null | null |
InChI=1S/C12H20Cl2O2/c1-4-7-8-16-12(15)10(6-3)9(5-2)11(13)14/h11H,4-8H2,1-3H3/b10-9- | ARAZTVXXFGECIW-KTKRTIGZSA-N | CCCCOC(=O)C(\CC)=C(\CC)C(Cl)Cl | C12H20Cl2O2 | CCCCOC(=O)C(CC)=C(CC)C(Cl)Cl | null | butyl (2Z)-3-(dichloromethyl)-2-ethylpent-2-enoate | null | null | null |
InChI=1S/C14H22N2O2/c1-14(2,3)7-6-12(13(17)18)16-10-11-5-4-8-15-9-11/h4-5,8-9,12,16H,6-7,10H2,1-3H3,(H,17,18)/t12-/m0/s1 | ARBGPGMZDDLJOD-LBPRGKRZSA-N | CC(C)(C)CC[C@@H](C(=O)O)NCC1=CN=CC=C1 | C14H22N2O2 | CC(C)(C)CCC(C(=O)O)NCC1=CN=CC=C1 | (2S)-5,5-dimethyl-2-(pyridin-3-ylmethylamino)hexanoic acid | (2S)-5,5-dimethyl-2-{[(pyridin-3-yl)methyl]amino}hexanoic acid | null | null | null |
InChI=1S/C19H22N2/c1-2-21-18-8-4-3-7-16(18)17-13-15(9-10-19(17)21)14-20-11-5-6-12-20/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3 | ARBHCRFVGGMKSD-UHFFFAOYSA-N | CCN1C2=C(C=C(C=C2)CN3CCCC3)C4=CC=CC=C41 | C19H22N2 | CCN1C2=C(C=C(C=C2)CN3CCCC3)C4=CC=CC=C41 | 9-ethyl-3-(pyrrolidin-1-ylmethyl)carbazole | 9-ethyl-3-[(pyrrolidin-1-yl)methyl]-9H-carbazole | {"alternativeParents":["CHEMONTID:0004197","CHEMONTID:0002497","CHEMONTID:0003899","CHEMONTID:0002257","CHEMONTID:0003449","CHEMONTID:0002448","CHEMONTID:0004144","CHEMONTID:0002239","CHEMONTID:0004139","CHEMONTID:0004557","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000210","intermediateNodes":[],"kingdom":"CHEMONT... | {"cn":1,"us":1} | null |
InChI=1S/C21H24F2N4O2/c1-4-6-15-7-5-10-24-18(15)13-29-17-9-8-14(2)16(11-17)12-27-20(19(22)23)25-26(3)21(27)28/h5,7-11,19H,4,6,12-13H2,1-3H3 | ARBIFTHRWYNDPA-UHFFFAOYSA-N | CCCC1=C(COC2=CC=C(C)C(CN3C(=O)N(C)N=C3C(F)F)=C2)N=CC=C1 | C21H24F2N4O2 | null | null | 3-(difluoromethyl)-1-methyl-4-({2-methyl-5-[(3-propylpyridin-2-yl)methoxy]phenyl}methyl)-4,5-dihydro-1H-1,2,4-triazol-5-one | null | null | null |
InChI=1S/C21H22FN3O4/c1-28-18-8-5-14(22)10-13(18)12-23-15-6-7-17-16(11-15)20(21(26)27)24-25(17)19-4-2-3-9-29-19/h5-8,10-11,19,23H,2-4,9,12H2,1H3,(H,26,27) | ARBIKIIJNZBFGT-UHFFFAOYSA-N | COC1=C(C=C(C=C1)F)CNC2=CC3=C(C=C2)N(N=C3C(=O)O)C4CCCCO4 | C21H22FN3O4 | COC1=C(C=C(C=C1)F)CNC2=CC3=C(C=C2)N(N=C3C(=O)O)C4CCCCO4 | 5-[(5-fluoro-2-methoxyphenyl)methylamino]-1-(oxan-2-yl)indazole-3-carboxylic acid | 5-{[(5-fluoro-2-methoxyphenyl)methyl]amino}-1-(oxan-2-yl)-1H-indazole-3-carboxylic acid | null | null | null |
InChI=1S/C32H43NO7S/c1-29(2)30(3)17-18-32(29,40-27(30)36)28(37)39-31(15-6-5-7-16-31)19-20-33-24(34)21-41-25(33)10-8-9-22-11-13-23(14-12-22)26(35)38-4/h11-14,25H,5-10,15-21H2,1-4H3/t25-,30-,32+/m0/s1 | ARBOKCIDSNGVFZ-DQJYIKHQSA-N | COC(=O)C1=CC=C(CCC[C@@H]2SCC(=O)N2CCC2(CCCCC2)OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)C=C1 | C32H43NO7S | COC(=O)C1=CC=C(CCCC2SCC(=O)N2CCC2(CCCCC2)OC(=O)C23CCC(C)(C(=O)O2)C3(C)C)C=C1 | null | 1-{2-[(2S)-2-{3-[4-(methoxycarbonyl)phenyl]propyl}-4-oxo-1,3-thiazolidin-3-yl]ethyl}cyclohexyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate | null | null | null |
InChI=1S/C28H37F2NS2/c1-6-10-26(18-22(7-2)8-3)33-27(31-24-14-13-20(4)21(5)17-24)15-16-32-25-12-9-11-23(19-25)28(29)30/h9,11-17,19,22,26,28H,6-8,10,18H2,1-5H3/b16-15+,31-27? | ARBXMAMJALUBST-KDIBPXSCSA-N | CCCC(CC(CC)CC)SC(\C=C\SC1=CC(=CC=C1)C(F)F)=NC1=CC(C)=C(C)C=C1 | C28H37F2NS2 | null | null | (2E)-3-{[3-(difluoromethyl)phenyl]sulfanyl}-N-(3,4-dimethylphenyl)-1-[(6-ethyloctan-4-yl)sulfanyl]prop-2-en-1-imine | null | null | null |
InChI=1S/C20H24ClFN2O3/c1-12-8-18(25)14-9-16(22)15(21)10-17(14)24(12)11-13-6-5-7-23(13)19(26)27-20(2,3)4/h8-10,13H,5-7,11H2,1-4H3/t13-/m1/s1 | ARBYJBGMSGQSFG-CYBMUJFWSA-N | CC1=CC(=O)C2=CC(F)=C(Cl)C=C2N1C[C@H]1CCCN1C(=O)OC(C)(C)C | C20H24ClFN2O3 | CC1=CC(=O)C2=CC(F)=C(Cl)C=C2N1CC1CCCN1C(=O)OC(C)(C)C | null | tert-butyl (2R)-2-[(7-chloro-6-fluoro-2-methyl-4-oxo-1,4-dihydroquinolin-1-yl)methyl]pyrrolidine-1-carboxylate | null | null | null |
InChI=1S/C19H16N2.2HI/c1-2-15-8-7-9-16-17-10-3-5-12-20(17)14-21-13-6-4-11-18(21)19(15)16;;/h2-13H,1,14H2;2*1H/q+2;;/p-2 | ARCBEGMUUSSTDY-UHFFFAOYSA-L | C=CC1=C2C(=CC=C1)C1=CC=CC=[N+]1C[N+]1=CC=CC=C21.[I-].[I-] | C19H16I2N2 | null | null | 6-ethenyl-13λ⁵,15λ⁵-diazatetracyclo[13.4.0.0²,⁷.0⁸,¹³]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-13,15-bis(ylium) diiodide | null | null | null |
InChI=1S/C24H24F4N2O3/c1-6-13-8-9-14-10-11-16(25)17(15(14)12-13)18-19(33-22(32)23(3,4)5)20(24(26,27)28)29-30(7-2)21(18)31/h8-12H,6-7H2,1-5H3 | ARCFCPMNIPMUAJ-UHFFFAOYSA-N | CCN1N=C(C(OC(=O)C(C)(C)C)=C(C1=O)C1=C(F)C=CC2=C1C=C(CC)C=C2)C(F)(F)F | C24H24F4N2O3 | null | null | 1-ethyl-5-(7-ethyl-2-fluoronaphthalen-1-yl)-6-oxo-3-(trifluoromethyl)-1,6-dihydropyridazin-4-yl 2,2-dimethylpropanoate | null | null | null |
InChI=1S/C32H22N2O3.C2H4O2/c1-34-26-13-10-20-6-2-4-8-24(20)31(26)23(16-27(34)22-12-15-29-30(17-22)37-19-36-29)18-33-32-25-9-5-3-7-21(25)11-14-28(32)35;1-2(3)4/h2-18H,19H2,1H3;1H3,(H,3,4) | ARCIGJVVFGJHQZ-UHFFFAOYSA-N | CC([O-])=O.C[N+]1=C(C=C(C=NC2=C(O)C=CC3=C2C=CC=C3)C2=C3C=CC=CC3=CC=C12)C1=CC=C2OCOC2=C1 | C34H26N2O5 | null | null | 3-(2H-1,3-benzodioxol-5-yl)-1-{[(2-hydroxynaphthalen-1-yl)imino]methyl}-4-methylbenzo[f]quinolin-4-ium acetate | null | null | null |
InChI=1S/C26H25ClN4O3/c1-4-30(2)25(33)34-22-13-6-9-18(15-22)17-8-5-10-19(14-17)26(20-11-7-12-21(27)16-20)23(32)31(3)24(28)29-26/h5-16H,4H2,1-3H3,(H2,28,29) | ARCKKJPQHYJQAH-UHFFFAOYSA-N | CCN(C)C(=O)OC1=CC=CC(=C1)C1=CC=CC(=C1)C1(N=C(N)N(C)C1=O)C1=CC(Cl)=CC=C1 | C26H25ClN4O3 | null | null | 3'-[2-amino-4-(3-chlorophenyl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl]-[1,1'-biphenyl]-3-yl N-ethyl-N-methylcarbamate | null | null | null |
InChI=1S/C69H129N29O20/c1-34(2)31-45(60(112)89-40(17-10-26-82-66(74)75)54(106)91-44(22-23-49(73)103)57(109)88-41(18-11-27-83-67(76)77)55(107)94-46(32-99)61(113)90-42(19-12-28-84-68(78)79)56(108)95-47(33-100)65(117)118)93-62(114)48-21-14-30-98(48)64(116)51(37(5)102)97-59(111)43(20-13-29-85-69(80)81)92-63(115)50(36(4)101... | ARCNYUGFVFYUHU-LPJTVUMESA-N | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(O)=O | C69H129N29O20 | null | null | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]propanamido]hexanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-5-carbamimidamidopentanamido]-4-c... | null | null | null |
InChI=1S/C20H20FN7O2S/c1-12-6-5-7-16(27-20(29)26(3)24-25-27)15(12)11-30-18-9-17(21)28(23-18)19-13(2)8-14(31-4)10-22-19/h5-10H,11H2,1-4H3 | ARCOAWYDQFTREL-UHFFFAOYSA-N | CSC1=CC(C)=C(N=C1)N1N=C(OCC2=C(C=CC=C2C)N2N=NN(C)C2=O)C=C1F | C20H20FN7O2S | null | null | 1-{2-[({5-fluoro-1-[3-methyl-5-(methylsulfanyl)pyridin-2-yl]-1H-pyrazol-3-yl}oxy)methyl]-3-methylphenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C36H44N8O8/c1-21(2)14-30(35(49)40-25-10-6-11-26(19-25)41-36(37)50)39-20-31(45)29(15-22-8-4-3-5-9-22)43-33(47)24-16-23(17-27(18-24)44(51)52)32(46)42-28-12-7-13-38-34(28)48/h3-6,8-11,16-19,21,28-31,39,45H,7,12-15,20H2,1-2H3,(H,38,48)(H,40,49)(H,42,46)(H,43,47)(H3,37,41,50) | ARCOQBLRRSKTEQ-UHFFFAOYSA-N | CC(C)CC(NCC(O)C(CC1=CC=CC=C1)NC(=O)C1=CC(=CC(=C1)[N](=O)=O)C(=O)NC1CCCNC1=O)C(=O)NC1=CC(NC(N)=O)=CC=C1 | C36H44N8O8 | CC(C)CC(NCC(O)C(CC1=CC=CC=C1)NC(=O)C1=CC(=CC(=C1)N(=O)=O)C(=O)NC1CCCNC1=O)C(=O)NC1=CC(NC(N)=O)=CC=C1 | null | N1-{4-[(1-{[3-(carbamoylamino)phenyl]carbamoyl}-3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-5-nitro-N3-(2-oxopiperidin-3-yl)benzene-1,3-dicarboxamide | null | null | null |
InChI=1S/C14H20N2/c1-13-4-3-5-14(2)7-10(6-13)16-9-15-8-11(16)12(13)14/h8-10,12H,3-7H2,1-2H3/i8D,9D | ARCUGXGZDYZRRY-XETGXLELSA-N | [2H]C1=NC([2H])=C2C3C4(C)CCCC3(C)CC(C4)N12 | C14H20N2 | null | null | 1,10-dimethyl(4,6-²H₂)-5,7-diazatetracyclo[6.5.1.0²,¹⁰.0³,⁷]tetradeca-3,5-diene | null | null | null |
InChI=1S/C22H24F3N3O3S/c1-28-9-7-14(8-10-28)27-20-12-16(4-6-18(20)22(23,24)25)32(29,30)21-13-26-19-11-15(31-2)3-5-17(19)21/h3-6,11-14,26-27H,7-10H2,1-2H3 | ARDBLQVQIFYHNT-UHFFFAOYSA-N | COC1=CC=C2C(NC=C2[S](=O)(=O)C2=CC(NC3CCN(C)CC3)=C(C=C2)C(F)(F)F)=C1 | C22H24F3N3O3S | COC1=CC=C2C(NC=C2S(=O)(=O)C2=CC(NC3CCN(C)CC3)=C(C=C2)C(F)(F)F)=C1 | N-[5-[(6-methoxy-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine | N-{5-[(6-methoxy-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl}-1-methylpiperidin-4-amine | {"alternativeParents":["CHEMONTID:0004233","CHEMONTID:0002497","CHEMONTID:0000284","CHEMONTID:0000138","CHEMONTID:0003924","CHEMONTID:0000128","CHEMONTID:0002357","CHEMONTID:0002458","CHEMONTID:0002257","CHEMONTID:0000505","CHEMONTID:0004144","CHEMONTID:0002239","CHEMONTID:0004139","CHEMONTID:0004557","CHEMONTID:000151... | {"ca":2,"cn":1,"ep":2,"jp":2,"us":2,"wo":1} | null |
InChI=1S/C11H24O2Si/c1-9(2)10(12)8-13-14(6,7)11(3,4)5/h10,12H,1,8H2,2-7H3 | ARDDFSXAPYGSPC-UHFFFAOYSA-N | CC(=C)C(O)CO[Si](C)(C)C(C)(C)C | C11H24O2Si | CC(=C)C(CO[Si](C)(C)C(C)(C)C)O | 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-en-2-ol | 1-[(tert-butyldimethylsilyl)oxy]-3-methylbut-3-en-2-ol | null | null | null |
InChI=1S/C20H18F3N3O5/c1-2-7-30-18(27)9-15(12-3-5-14(21)6-4-12)16(10-24)13-8-17(26(28)29)19(25-11-13)31-20(22)23/h3-6,8,11,15-16,20H,2,7,9H2,1H3/t15-,16-/m1/s1 | ARDFWLQMEYRLKE-MNSHXRSISA-N | CCCOC(=O)C[C@@H]([C@H](C#N)C1=CN=C(OC(F)F)C(=C1)[N](=O)=O)C1=CC=C(F)C=C1 | C20H18F3N3O5 | null | null | propyl (3S,4S)-4-cyano-4-[6-(difluoromethoxy)-5-nitropyridin-3-yl]-3-(4-fluorophenyl)butanoate | null | null | null |
InChI=1S/C29H51ClO4Si/c1-7-35(8-2,9-3)34-25-22(5)28-14-13-21(4)27(6,24(31)20-23(25)12-10-11-17-30)26(28)29(16-15-28)32-18-19-33-29/h12,21-22,24-26,31H,7-11,13-20H2,1-6H3/b23-12+/t21-,22+,24-,25+,26-,27+,28+/m1/s1 | ARDGKGUXMKEOIB-WWNXEHABSA-N | [H][C@@]12[C@]3(CCC11OCCO1)CC[C@@H](C)[C@@]2(C)[C@H](O)C\C(=C/CCCCl)[C@@H](O[Si](CC)(CC)CC)[C@@H]3C | C29H51ClO4Si | null | null | (1'S,2'R,3'S,4'E,6'R,7'R,8'S,14'R)-4'-(4-chlorobutylidene)-2',7',14'-trimethyl-3'-[(triethylsilyl)oxy]spiro[1,3-dioxolane-2,9'-tricyclo[5.4.3.0¹,⁸]tetradecan]-6'-ol | null | null | null |
InChI=1S/C46H27N5OS/c1-3-12-28(13-4-1)43-48-44(29-23-25-41-35(26-29)32-16-8-10-21-40(32)53-41)50-45(49-43)30-22-24-36-39(27-30)52-46(47-36)34-18-11-20-38-42(34)33-17-7-9-19-37(33)51(38)31-14-5-2-6-15-31/h1-27H | ARDIDLRPJVCXHJ-UHFFFAOYSA-N | O1C2=CC(=CC=C2N=C1C1=C2C(=CC=C1)N(C1=CC=CC=C21)C1=CC=CC=C1)C1=NC(=NC(=N1)C1=CC=C2SC3=CC=CC=C3C2=C1)C1=CC=CC=C1 | C46H27N5OS | O1C2=CC(=CC=C2N=C1C1=C2C(=CC=C1)N(C1=CC=CC=C21)C1=CC=CC=C1)C1=NC(=NC(=N1)C1=CC=C2SC3=CC=CC=C3C2=C1)C1=CC=CC=C1 | null | 9-phenyl-4-[6-(4-phenyl-6-{8-thiatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-4-yl}-1,3,5-triazin-2-yl)-1,3-benzoxazol-2-yl]-9H-carbazole | null | null | null |
InChI=1S/C20H11ClN4O/c21-20-24-17(12-5-2-1-3-6-12)23-18(25-20)13-8-9-16-15(11-13)14-7-4-10-22-19(14)26-16/h1-11H | ARDJBDDCACKFHO-UHFFFAOYSA-N | C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC4=C(C=C3)OC5=C4C=CC=N5 | C20H11ClN4O | C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC4=C(C=C3)OC5=C4C=CC=N5 | 6-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine | 12-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-8-oxa-6-azatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaene | null | null | null |
InChI=1S/C64H57N3/c1-63(2)42-50-29-35-58(37-52(50)44-63)67(59-36-30-51-43-64(3,4)45-53(51)38-59)62-40-60(65(54-21-13-7-14-22-54)56-31-25-48(26-32-56)46-17-9-5-10-18-46)39-61(41-62)66(55-23-15-8-16-24-55)57-33-27-49(28-34-57)47-19-11-6-12-20-47/h5-41H,42-45H2,1-4H3/i25D,26D,27D,28D,31D,32D,33D,34D | ARDMHFFZOKASNL-KQAOYCMLSA-N | [2H]C1=C([2H])C(=C([2H])C([2H])=C1N(C1=CC=CC=C1)C1=CC(=CC(=C1)N(C1=CC=C2CC(C)(C)CC2=C1)C1=CC=C2CC(C)(C)CC2=C1)N(C1=CC=CC=C1)C1=C([2H])C([2H])=C(C([2H])=C1[2H])C1=CC=CC=C1)C1=CC=CC=C1 | C64H57N3 | null | null | N1,N3-bis[(2,3,5,6-²H₄)-[1,1'-biphenyl]-4-yl]-N5,N5-bis(2,2-dimethyl-2,3-dihydro-1H-inden-5-yl)-N1,N3-diphenylbenzene-1,3,5-triamine | null | null | null |
InChI=1S/C19H13F3N2O3/c1-26-18-15-8-2-12(10-16(15)23-11-24-18)3-9-17(25)13-4-6-14(7-5-13)27-19(20,21)22/h2-11H,1H3/b9-3+ | ARDNOMFQKGANKY-YCRREMRBSA-N | COC1=NC=NC2=C1C=CC(\C=C\C(=O)C1=CC=C(OC(F)(F)F)C=C1)=C2 | C19H13F3N2O3 | null | null | (2E)-3-(4-methoxyquinazolin-7-yl)-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one | null | null | null |
InChI=1S/C37H37N5O7/c1-24(33(44)42-31(22-26-13-7-3-8-14-26)36(47)40-29-19-17-28(18-20-29)37(48)49)39-35(46)30(21-25-11-5-2-6-12-25)41-32(43)23-38-34(45)27-15-9-4-10-16-27/h2-20,24,30-31H,21-23H2,1H3,(H,38,45)(H,39,46)(H,40,47)(H,41,43)(H,42,44)(H,48,49)/t24-,30-,31-/m0/s1 | ARDOPPMNRUPMSR-AHCWXFLVSA-N | C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)C1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC1=CC=C(C=C1)C(O)=O | C37H37N5O7 | null | null | 4-[(2S)-3-phenyl-2-[(2S)-2-[(2S)-3-phenyl-2-[2-(phenylformamido)acetamido]propanamido]propanamido]propanamido]benzoic acid | null | null | null |
InChI=1S/C30H29N2.2C18H13N2.Ir/c1-6-30(7-2)27-25(20-13-9-8-10-14-20)31-28-22-16-12-11-15-21(22)24-19(3)17-18-23(29(30,4)5)26(24)32(27)28;2*1-13-10-11-19-18(12-13)20-16-8-4-2-6-14(16)15-7-3-5-9-17(15)20;/h8-15,17-18H,6-7H2,1-5H3;2*2-8,10-12H,1H3;/q3*-1;+3 | ARDPKHGGXKSHFW-UHFFFAOYSA-N | C12=C3[C-]([Ir+3]45([C-]6=CC=CC7=C6C6=[N]4C(=C4C(C(C8=C(C7=C(C)C=C8)N64)(C)C)(CC)CC)C4=CC=CC=C4)([C-]4=CC=CC6=C4N(C4=CC(C)=CC=[N]54)C4=CC=CC=C64)[N]4=CC=C(C)C=C4N3C3=CC=CC=C13)=CC=C2 | C66H55IrN6 | null | null | null | null | null | null |
InChI=1S/C13H17NO4/c1-3-8-9-5-4-6-14-10(9)12(18-13(14)16)11(8)17-7(2)15/h10-12H,3-6H2,1-2H3/t10-,11-,12-/m0/s1 | ARDVYGZHGGRUCT-SRVKXCTJSA-N | CCC1=C2CCCN3[C@@H]2[C@@H]([C@H]1OC(=O)C)OC3=O | C13H17NO4 | CCC1=C2CCCN3C2C(C1OC(=O)C)OC3=O | [(4S,5S,11S)-6-ethyl-2-oxo-3-oxa-1-azatricyclo[5.3.1.04,11]undec-6-en-5-yl] acetate | (4S,5S,11S)-6-ethyl-2-oxo-3-oxa-1-azatricyclo[5.3.1.0⁴,¹¹]undec-6-en-5-yl acetate | null | null | null |
InChI=1S/C18H23NO/c1-4-18(5-2)11-14-10-13-8-6-7-9-16(13)19(3)17(20)15(14)12-18/h6-9,12,14H,4-5,10-11H2,1-3H3 | ARDYAOXIUFUTNE-UHFFFAOYSA-N | CCC1(CC)CC2CC3=CC=CC=C3N(C)C(=O)C2=C1 | C18H23NO | null | null | 5,5-diethyl-9-methyl-9-azatricyclo[8.4.0.0³,⁷]tetradeca-1(14),6,10,12-tetraen-8-one | null | null | null |
InChI=1S/C34H41F3N6O5S/c1-21(2)49(46,47)43(4)32-15-25(14-31(42-32)40-18-26-11-22(26)3)33(45)41-29(20-48-28-10-6-7-23(13-28)16-38)30(44)19-39-17-24-8-5-9-27(12-24)34(35,36)37/h5-10,12-15,21-22,26,29-30,39,44H,11,17-20H2,1-4H3,(H,40,42)(H,41,45)/t22-,26+,29-,30+/m0/s1 | ARDZMZHQSFOTKQ-XBNVWBQGSA-N | C[C@H]1C[C@@H]1CNC2=NC(=CC(=C2)C(=O)N[C@@H](COC3=CC=CC(=C3)C#N)[C@@H](CNCC4=CC(=CC=C4)C(F)(F)F)O)N(C)S(=O)(=O)C(C)C | C34H41F3N6O5S | CC1CC1CNC2=NC(=CC(=C2)C(=O)NC(COC3=CC=CC(=C3)C#N)C(CNCC4=CC(=CC=C4)C(F)(F)F)O)N(C)S(=O)(=O)C(C)C | N-[(2S,3R)-1-(3-cyanophenoxy)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methylamino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide | N-[(2S,3R)-1-(3-cyanophenoxy)-3-hydroxy-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-(N-methylpropane-2-sulfonamido)pyridine-4-carboxamide | {"alternativeParents":["CHEMONTID:0001326","CHEMONTID:0001530","CHEMONTID:0002673","CHEMONTID:0002341","CHEMONTID:0000185","CHEMONTID:0004742","CHEMONTID:0000128","CHEMONTID:0000283","CHEMONTID:0003899","CHEMONTID:0002458","CHEMONTID:0003886","CHEMONTID:0004439","CHEMONTID:0001585","CHEMONTID:0004144","CHEMONTID:000313... | null | null |
InChI=1S/C56H42N2/c1-56(2)51-20-12-11-19-48(51)49-34-32-46(36-52(49)56)58(44-28-23-38(24-29-44)43-22-21-37-13-7-8-17-42(37)35-43)45-30-25-40(26-31-45)53-50-33-27-39-14-9-10-18-47(39)55(50)57(3)54(53)41-15-5-4-6-16-41/h4-36H,1-3H3 | AREDAROTTCXFOA-UHFFFAOYSA-N | CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=CC=CC=C6C=C5)C7=CC=C(C=C7)C8=C(N(C9=C8C=CC1=CC=CC=C19)C)C1=CC=CC=C1)C | C56H42N2 | CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=CC=CC=C6C=C5)C7=CC=C(C=C7)C8=C(N(C9=C8C=CC1=CC=CC=C19)C)C1=CC=CC=C1)C | 9,9-dimethyl-N-[4-(1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine | 9,9-dimethyl-N-(4-{1-methyl-2-phenyl-1H-benzo[g]indol-3-yl}phenyl)-N-[4-(naphthalen-2-yl)phenyl]-9H-fluoren-2-amine | null | null | null |
InChI=1S/C19H17ClO2/c1-12-8-9-15(14-6-4-3-5-7-14)10-16(12)18-17(21)11-22-13(2)19(18)20/h3-10,13H,11H2,1-2H3 | AREGRLNJEUIVEN-UHFFFAOYSA-N | CC1OCC(=O)C(=C1Cl)C1=CC(=CC=C1C)C1=CC=CC=C1 | C19H17ClO2 | null | null | 5-chloro-6-methyl-4-{4-methyl-[1,1'-biphenyl]-3-yl}-3,6-dihydro-2H-pyran-3-one | null | null | null |
InChI=1S/C21H24BFN2O3/c1-20(2)21(3,4)28-22(27-20)15-6-5-7-18(14-15)25-13-12-24(19(25)26)17-10-8-16(23)9-11-17/h5-11,14H,12-13H2,1-4H3 | AREOTSHGPASEDQ-UHFFFAOYSA-N | CC1(C)OB(OC1(C)C)C1=CC=CC(=C1)N1CCN(C1=O)C1=CC=C(F)C=C1 | C21H24BFN2O3 | null | null | 1-(4-fluorophenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one | null | null | null |
InChI=1S/C17H11F7N2O5/c18-14(19)17(23,24)29-6-9-11-8(12(27)31-13(9)28)2-1-3-10(11)30-15-25-4-7(5-26-15)16(20,21)22/h1-5,9,13-14,28H,6H2 | AREPDLBAXNMXBP-UHFFFAOYSA-N | OC1OC(=O)C2=CC=CC(OC3=NC=C(C=N3)C(F)(F)F)=C2C1COC(F)(F)C(F)F | C17H11F7N2O5 | null | null | 3-hydroxy-4-[(1,1,2,2-tetrafluoroethoxy)methyl]-5-{[5-(trifluoromethyl)pyrimidin-2-yl]oxy}-3,4-dihydro-1H-2-benzopyran-1-one | null | null | null |
InChI=1S/C21H20ClN3O4S/c1-12-14(19-23-8-9-30-19)10-24-18(29-11-13-6-4-5-7-15(13)22)16(12)17(26)25-21(2,3)20(27)28/h4-10H,11H2,1-3H3,(H,25,26)(H,27,28) | AREQLMLXCKNVNL-UHFFFAOYSA-N | CC1=C(C=NC(OCC2=C(Cl)C=CC=C2)=C1C(=O)NC(C)(C)C(O)=O)C1=NC=CS1 | C21H20ClN3O4S | null | null | 2-({2-[(2-chlorophenyl)methoxy]-4-methyl-5-(1,3-thiazol-2-yl)pyridin-3-yl}formamido)-2-methylpropanoic acid | null | null | null |
InChI=1S/C29H19N3/c1-3-23-19-24-4-2-6-26(21-9-15-31-16-10-21)28(24)29(22-11-17-32-18-12-22)27(23)25(5-1)20-7-13-30-14-8-20/h1-19H | ARERWNXIGXOXGH-UHFFFAOYSA-N | C1=CC2=CC3=C(C(=CC=C3)C3=CC=NC=C3)C(C3=CC=NC=C3)=C2C(=C1)C1=CC=NC=C1 | C29H19N3 | C1=CC2=CC3=C(C(=CC=C3)C4=CC=NC=C4)C(=C2C(=C1)C5=CC=NC=C5)C6=CC=NC=C6 | 4-(1,8-dipyridin-4-ylanthracen-9-yl)pyridine | 4-[8,9-bis(pyridin-4-yl)anthracen-1-yl]pyridine | {"alternativeParents":["CHEMONTID:0002317","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000018","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromatic heteropolycyclic compounds","substituents":["Anthracene","4-phenylpyridine","... | {"us":2} | null |
InChI=1S/C14H16N2OS2/c1-9-8-18-14(15-9)16-13(17)12-7-10-5-3-2-4-6-11(10)19-12/h7-8H,2-6H2,1H3,(H,15,16,17) | ARESBEWQNPJCFW-UHFFFAOYSA-N | CC1=CSC(NC(=O)C2=CC3=C(CCCCC3)S2)=N1 | C14H16N2OS2 | Cc1csc(NC(=O)c2cc3c(s2)CCCCC3)n1 | N-(4-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide | N-(4-methyl-1,3-thiazol-2-yl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carboxamide | {"alternativeParents":["CHEMONTID:0002018","CHEMONTID:0004817","CHEMONTID:0003482","CHEMONTID:0002634","CHEMONTID:0004144","CHEMONTID:0001663","CHEMONTID:0004139","CHEMONTID:0004557","CHEMONTID:0000323","CHEMONTID:0000278","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0002338","intermediateNodes":[... | null | null |
InChI=1S/C24H23NO3/c1-24(2,3)19-11-9-18(10-12-19)23(27)28-21-15-13-20(14-16-21)25-22(26)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,25,26) | ARESLIUFHCBVCB-UHFFFAOYSA-N | CC(C)(C)C1=CC=C(C=C1)C(=O)OC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1 | C24H23NO3 | null | null | 4-benzamidophenyl 4-tert-butylbenzoate | null | null | null |
InChI=1S/C15H16FN3O4/c1-5-18-14(15(20)23-4)9(3)13(17-18)10-7-12(19(21)22)8(2)6-11(10)16/h6-7H,5H2,1-4H3 | AREYYZICDJKYLL-UHFFFAOYSA-N | CCN1N=C(C(C)=C1C(=O)OC)C1=CC(=C(C)C=C1F)[N](=O)=O | C15H16FN3O4 | null | null | methyl 1-ethyl-3-(2-fluoro-4-methyl-5-nitrophenyl)-4-methyl-1H-pyrazole-5-carboxylate | null | null | null |
InChI=1S/C13H13NOS2/c1-9-6-4-5-7-10(9)12(15)11(8-14)13(16-2)17-3/h4-7H,1-3H3 | ARFBFQRDQYMQIY-UHFFFAOYSA-N | CSC(SC)=C(C#N)C(=O)C1=C(C)C=CC=C1 | C13H13NOS2 | CC1=CC=CC=C1C(=O)C(=C(SC)SC)C#N | 2-(2-methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile | 2-(2-methylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile | {"alternativeparents":["CHEMONTID:0003670","CHEMONTID:0001091","CHEMONTID:0004020","CHEMONTID:0003674","CHEMONTID:0001363","CHEMONTID:0000275","CHEMONTID:0001168","CHEMONTID:0003260","CHEMONTID:0000362","CHEMONTID:0003940","CHEMONTID:0004150"],"class":"CHEMONTID:0002279","directparent":"CHEMONTID:0000321","intermediate... | null | null |
InChI=1S/C17H16ClF2N3O/c18-16-7-11(3-6-22-16)17(24)23-15-9-14(20)13(19)8-12(15)10-1-4-21-5-2-10/h3,6-10,21H,1-2,4-5H2,(H,23,24) | ARFHAXACUQMNBO-UHFFFAOYSA-N | C1CNCCC1C2=CC(=C(C=C2NC(=O)C3=CC(=NC=C3)Cl)F)F | C17H16ClF2N3O | C1CNCCC1C2=CC(=C(C=C2NC(=O)C3=CC(=NC=C3)Cl)F)F | 2-chloro-N-(4,5-difluoro-2-piperidin-4-ylphenyl)pyridine-4-carboxamide | 2-chloro-N-[4,5-difluoro-2-(piperidin-4-yl)phenyl]pyridine-4-carboxamide | {"alternativeParents":["CHEMONTID:0000303","CHEMONTID:0001326","CHEMONTID:0004532","CHEMONTID:0003899","CHEMONTID:0001100","CHEMONTID:0001030","CHEMONTID:0001031","CHEMONTID:0004144","CHEMONTID:0001663","CHEMONTID:0000347","CHEMONTID:0002228","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0001516","CHEMONTID:000151... | {"ca":1,"cn":1,"ep":1,"jp":2,"us":3} | null |
InChI=1S/C25H24FN7O4S2/c1-38-23-10-20(33(32-23)19-9-17(26)8-7-15(19)12-28-22(34)11-27)24(35)31-25-29-13-16(14-30-25)18-5-3-4-6-21(18)39(2,36)37/h3-10,13-14H,11-12,27H2,1-2H3,(H,28,34)(H,29,30,31,35) | ARFISPVSOGXWEU-UHFFFAOYSA-N | CSC1=NN(C(=C1)C(=O)NC1=NC=C(C=N1)C1=C(C=CC=C1)[S](C)(=O)=O)C1=C(CNC(=O)CN)C=CC(F)=C1 | C25H24FN7O4S2 | null | null | 1-{2-[(2-aminoacetamido)methyl]-5-fluorophenyl}-N-[5-(2-methanesulfonylphenyl)pyrimidin-2-yl]-3-(methylsulfanyl)-1H-pyrazole-5-carboxamide | null | null | null |
InChI=1S/C28H29BrN2O2/c1-27(2)13-20-25(22(32)15-27)24(17-9-11-30-12-10-17)26-21(14-28(3,4)16-23(26)33)31(20)19-7-5-18(29)6-8-19/h5-12,24H,13-16H2,1-4H3 | ARFJRBALZLNTQD-UHFFFAOYSA-N | CC1(C)CC(=O)C2=C(C1)N(C1=CC=C(Br)C=C1)C1=C(C2C2=CC=NC=C2)C(=O)CC(C)(C)C1 | C28H29BrN2O2 | null | null | 10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(pyridin-4-yl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione | null | null | null |
InChI=1S/C17H24N4O5/c1-4-13-14(11(3)18-25-13)20-16(23)21(26-17(20)24)15(22)19(5-2)12-9-7-6-8-10-12/h12H,4-10H2,1-3H3 | ARFOUYGLZFZHOY-UHFFFAOYSA-N | CCN(C1CCCCC1)C(=O)N1OC(=O)N(C1=O)C1=C(CC)ON=C1C | C17H24N4O5 | null | null | N-cyclohexyl-N-ethyl-4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3,5-dioxo-1,2,4-oxadiazolidine-2-carboxamide | null | null | null |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.