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/C39H60N12O17S2/c40-20(2-1-11-43-39(41)42)31(61)48-24(14-52)37(67)47-23(12-18-3-5-19(54)6-4-18)35(65)45-21(7-9-28(55)56)34(64)51-27(17-70)38(68)49-25(15-53)36(66)46-22(8-10-29(57)58)33(63)50-26(16-69)32(62)44-13-30(59)60/h3-6,20-27,52-54,69-70H,1-2,7-17,40H2,(H,44,62)(H,45,65)(H,46,66)(H,47,67)(H,48,61)(H,49,68... | AQWMPXZOCQADDL-APGJSSKUSA-N | N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)NCC(O)=O | C39H60N12O17S2 | null | null | (4S)-4-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid | null | null | null |
InChI=1S/C41H77N19O15S/c1-19(64)29(60-30(66)20(42)16-61)37(73)57-25(11-15-76-2)35(71)54-21(6-3-12-50-39(44)45)31(67)56-24(9-10-28(43)65)34(70)53-22(7-4-13-51-40(46)47)32(68)58-26(17-62)36(72)55-23(8-5-14-52-41(48)49)33(69)59-27(18-63)38(74)75/h19-27,29,61-64H,3-18,42H2,1-2H3,(H2,43,65)(H,53,70)(H,54,71)(H,55,72)(H,56,6... | AQWNQRANPVYPAI-HPAJJONUSA-N | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[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 | C41H77N19O15S | null | null | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanoic acid | null | null | null |
InChI=1S/C18H13F3N4O6S2/c1-2-32(27,28)17-15(23-13-8-3-4-9-24(13)17)25-10-22-14-11(16(25)26)6-5-7-12(14)31-33(29,30)18(19,20)21/h3-10H,2H2,1H3 | AQWSYBICEYEUGY-UHFFFAOYSA-N | CC[S](=O)(=O)C1=C(N=C2C=CC=CN12)N1C=NC2=C(O[S](=O)(=O)C(F)(F)F)C=CC=C2C1=O | C18H13F3N4O6S2 | null | null | 3-[3-(ethanesulfonyl)imidazo[1,2-a]pyridin-2-yl]-4-oxo-3,4-dihydroquinazolin-8-yl trifluoromethanesulfonate | null | null | null |
InChI=1S/C15H19N3O7S/c1-2-7-25-15(20)16-11-8-12(10-19)17(9-11)26(23,24)14-6-4-3-5-13(14)18(21)22/h2-6,11-12,19H,1,7-10H2,(H,16,20)/t11-,12+/m1/s1 | AQWWGDUQUGEJNE-NEPJUHHUSA-N | C=CCOC(=O)N[C@@H]1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CO | C15H19N3O7S | C=CCOC(=O)NC1CC(N(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CO | prop-2-enyl N-[(3R,5S)-5-(hydroxymethyl)-1-(2-nitrophenyl)sulfonylpyrrolidin-3-yl]carbamate | prop-2-en-1-yl N-[(3R,5S)-5-(hydroxymethyl)-1-(2-nitrobenzenesulfonyl)pyrrolidin-3-yl]carbamate | null | null | null |
InChI=1S/C39H68N10O17/c1-9-17(6)29(38(64)46-24(14-51)35(61)49-30(19(8)53)39(65)66)48-33(59)22(12-26(55)56)43-32(58)21(11-25(40)54)42-34(60)23(13-50)45-31(57)20(10-15(2)3)44-37(63)28(16(4)5)47-36(62)27(41)18(7)52/h15-24,27-30,50-53H,9-14,41H2,1-8H3,(H2,40,54)(H,42,60)(H,43,58)(H,44,63)(H,45,57)(H,46,64)(H,47,62)(H,48,59... | AQWXPERUZQWPCE-DAFUGPDCSA-N | CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O | C39H68N10O17 | null | null | (2S,3R)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-methylbutanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]-3-methylpentanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid | null | null | null |
InChI=1S/C12H20O3/c13-7-9-5-12(9)6-10(12)8-15-11-3-1-2-4-14-11/h9-11,13H,1-8H2/t9-,10+,11?,12+/m1/s1 | AQWZCIPFFWJMKQ-AIROJPCNSA-N | C1CCOC(C1)OC[C@@H]2C[C@]23C[C@@H]3CO | C12H20O3 | C1CCOC(C1)OCC2CC23CC3CO | [(2R,3S,5S)-2-(oxan-2-yloxymethyl)spiro[2.2]pentan-5-yl]methanol | [(1S,3S,4R)-4-[(oxan-2-yloxy)methyl]spiro[2.2]pentan-1-yl]methanol | {"alternativeParents":["CHEMONTID:0004140","CHEMONTID:0001656","CHEMONTID:0000286","CHEMONTID:0004150"],"directParent":"CHEMONTID:0002012","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aliphatic heteropolycyclic compounds","substituents":["Oxane","Oxacycle","Acetal","Organic oxygen compound... | null | null |
InChI=1S/C31H24ClF4N5O4/c1-19-10-12-20(13-11-19)29(37-44-17-22-6-3-4-7-25(22)33)21-14-15-28(24(32)16-21)43-18-23-26(41-30(42)40(2)38-39-41)8-5-9-27(23)45-31(34,35)36/h3-16H,17-18H2,1-2H3 | AQXAIVHOSWEPKN-UHFFFAOYSA-N | CN1N=NN(C1=O)C1=C(COC2=C(Cl)C=C(C=C2)C(=NOCC2=C(F)C=CC=C2)C2=CC=C(C)C=C2)C(OC(F)(F)F)=CC=C1 | C31H24ClF4N5O4 | null | null | 1-(2-{[2-chloro-4-({[(2-fluorophenyl)methoxy]imino}(4-methylphenyl)methyl)phenoxy]methyl}-3-(trifluoromethoxy)phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C14H20O/c1-4-5-6-13(15)11-8-7-10-9-12(11)14(10,2)3/h4,8,10,12H,1,5-7,9H2,2-3H3 | AQXBWSJEVKSEBX-UHFFFAOYSA-N | CC1(C2CC=C(C1C2)C(=O)CCC=C)C | C14H20O | CC1(C2CC=C(C1C2)C(=O)CCC=C)C | 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)pent-4-en-1-one | 1-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}pent-4-en-1-one | null | null | null |
InChI=1S/C60H43NO2/c1-59(2)50-19-8-6-14-43(50)47-35-40(29-30-52(47)59)61(53-21-12-17-45-42-13-5-9-20-51(42)60(3,4)57(45)53)39-27-23-36(24-28-39)37-25-31-55-48(33-37)49-34-38(26-32-56(49)62-55)41-16-11-18-46-44-15-7-10-22-54(44)63-58(41)46/h5-35H,1-4H3 | AQXCDGCXZXNTNB-UHFFFAOYSA-N | CC1(C)C2=CC=CC=C2C2=CC(=CC=C12)N(C1=CC=C(C=C1)C1=CC=C2OC3=CC=C(C=C3C2=C1)C1=C2OC3=CC=CC=C3C2=CC=C1)C1=C2C(=CC=C1)C1=CC=CC=C1C2(C)C | C60H43NO2 | null | null | N-(9,9-dimethyl-9H-fluoren-1-yl)-9,9-dimethyl-N-[4-(12-{8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-6-yl}-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-4-yl)phenyl]-9H-fluoren-3-amine | null | null | null |
InChI=1S/C16H12Cl2N2O2/c1-2-22-15(21)12-5-6-16(8-19,9-20)14(12)11-4-3-10(17)7-13(11)18/h3-5,7,14H,2,6H2,1H3/t14-/m1/s1 | AQXFIFQVLUJFLK-CQSZACIVSA-N | CCOC(=O)C1=CCC([C@@H]1C2=C(C=C(C=C2)Cl)Cl)(C#N)C#N | C16H12Cl2N2O2 | CCOC(=O)C1=CCC(C1C2=C(C=C(C=C2)Cl)Cl)(C#N)C#N | ethyl (5S)-4,4-dicyano-5-(2,4-dichlorophenyl)cyclopentene-1-carboxylate | ethyl (5S)-4,4-dicyano-5-(2,4-dichlorophenyl)cyclopent-1-ene-1-carboxylate | null | null | null |
InChI=1S/C15H11Cl2N3O2S/c1-2-21-10-5-3-9(4-6-10)14-19-20(15(23)22-14)13-11(16)7-18-8-12(13)17/h3-8H,2H2,1H3 | AQXGDBCNSHRNRO-UHFFFAOYSA-N | CCOC1=CC=C(C=C1)C1=NN(C(=S)O1)C1=C(Cl)C=NC=C1Cl | C15H11Cl2N3O2S | null | null | 3-(3,5-dichloropyridin-4-yl)-5-(4-ethoxyphenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione | null | null | null |
InChI=1S/C21H15BrN4O4/c1-12-19(30-21(28)29-2)18(20(27)26(25-12)9-3-8-23)17-15-10-13(11-24)4-5-14(15)6-7-16(17)22/h4-7,10H,3,9H2,1-2H3 | AQXIZHAUGJGZBH-UHFFFAOYSA-N | COC(=O)OC1=C(C(=O)N(CCC#N)N=C1C)C1=C(Br)C=CC2=C1C=C(C=C2)C#N | C21H15BrN4O4 | null | null | 5-(2-bromo-7-cyanonaphthalen-1-yl)-1-(2-cyanoethyl)-3-methyl-6-oxo-1,6-dihydropyridazin-4-yl methyl carbonate | null | null | null |
InChI=1S/C18H15ClF2N2O4/c1-25-18(24)17(23-26-2)13-7-12(14(19)8-16(13)21)9-22-27-10-11-5-3-4-6-15(11)20/h3-9H,10H2,1-2H3 | AQXJOEGQAIYLSH-UHFFFAOYSA-N | CON=C(C(=O)OC)C1=CC(C=NOCC2=C(F)C=CC=C2)=C(Cl)C=C1F | C18H15ClF2N2O4 | null | null | methyl 2-[4-chloro-2-fluoro-5-({[(2-fluorophenyl)methoxy]imino}methyl)phenyl]-2-(methoxyimino)acetate | null | null | null |
InChI=1S/12C2H5.3Al.Y/c12*1-2;;;;/h12*1H2,2H3;;;;/q12*-1;4*+3 | AQXOAVULPGWCEI-UHFFFAOYSA-N | C[CH2-][Al+3]1([CH2-]C)[CH2-](C)[Y+3]234([CH2-]1C)[CH2-](C)[Al+3]([CH2-]C)([CH2-]C)[CH2-]2C.C[CH2-][Al+3]([CH2-]C)([CH2-]3C)[CH2-]4C |(14.15,12.16,;12.4,13.16,;11.12,12.43,;11.12,14.38,;12.46,15.16,;12.31,9.73,;14.5,8.95,;8.11,7.59,;8.22,12.21,;7.26,13.13,;12.31,5.64,;14.48,6.48,;11.12,2.96,;12.4,2.22,;13.73,2.99,;11.1... | C24H60Al3Y | null | null | 2,2,6,6,9,9-hexakis(ethan-1-uid-1-yl)-1,3,5,7,8,10-hexamethyl-2,6,9-trialumina-4-yttraspiro[3.3⁴.3⁴]decane-2,2,2,4,4,4,6,6,6,9,9,9-dodecakis(ylium)-1,3,5,7,8,10-hexauide | null | null | null |
InChI=1S/C19H13F3N2O2/c1-2-7-26-18(25)8-14(19-16(21)10-24-11-17(19)22)15(9-23)12-3-5-13(20)6-4-12/h3-6,10-11,14-15H,8H2,1H3/t14-,15-/m0/s1 | AQXSUWTWHFXFNL-GJZGRUSLSA-N | CC#COC(=O)C[C@@H]([C@@H](C#N)C1=CC=C(F)C=C1)C1=C(F)C=NC=C1F | C19H13F3N2O2 | null | null | prop-1-yn-1-yl (3S,4R)-4-cyano-3-(3,5-difluoropyridin-4-yl)-4-(4-fluorophenyl)butanoate | null | null | null |
InChI=1S/C32H34FN3O6S/c1-32(2,31(38)34-18-20-6-5-7-25(16-20)41-3)36-19-26(22-10-13-27-23(17-22)14-15-42-27)28(30(37)35-43(4,39)40)29(36)21-8-11-24(33)12-9-21/h5-17,26,28-29H,18-19H2,1-4H3,(H,34,38)(H,35,37)/t26-,28-,29+/m1/s1 | AQXUQYRVLMFADU-CMYDWJSCSA-N | COC1=CC=CC(CNC(=O)C(C)(C)N2C[C@@H]([C@H]([C@@H]2C2=CC=C(F)C=C2)C(=O)N[S](C)(=O)=O)C2=CC=C3OC=CC3=C2)=C1 | C32H34FN3O6S | COC1=CC=CC(CNC(=O)C(C)(C)N2CC(C(C2C2=CC=C(F)C=C2)C(=O)NS(C)(=O)=O)C2=CC=C3OC=CC3=C2)=C1 | null | (2R,3R,4S)-4-(1-benzofuran-5-yl)-2-(4-fluorophenyl)-N-methanesulfonyl-1-(1-{[(3-methoxyphenyl)methyl]carbamoyl}-1-methylethyl)pyrrolidine-3-carboxamide | null | null | null |
InChI=1S/C19H17ClF2I2N6O/c1-9-15(17(20)28(2)26-9)19(31)29(10-3-4-10)8-11-12(23)5-6-14(16(11)24)30-25-7-13(27-30)18(21)22/h5-7,10,18H,3-4,8H2,1-2H3 | AQXVCQWHKLOQRM-UHFFFAOYSA-N | CN1N=C(C)C(C(=O)N(CC2=C(I)C(=CC=C2I)N2N=CC(=N2)C(F)F)C2CC2)=C1Cl | C19H17ClF2I2N6O | null | null | 5-chloro-N-cyclopropyl-N-({3-[4-(difluoromethyl)-2H-1,2,3-triazol-2-yl]-2,6-diiodophenyl}methyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide | null | null | null |
InChI=1S/C15H20N2O2/c1-2-19-15(18)12-4-3-7-16-14(12)17-13-9-10-5-6-11(13)8-10/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3,(H,16,17) | AQXVLMCKYHHDRR-UHFFFAOYSA-N | CCOC(=O)C1=C(N=CC=C1)NC2CC3CCC2C3 | C15H20N2O2 | CCOC(=O)C1=C(N=CC=C1)NC2CC3CCC2C3 | ethyl 2-(2-bicyclo[2.2.1]heptanylamino)pyridine-3-carboxylate | ethyl 2-({bicyclo[2.2.1]heptan-2-yl}amino)pyridine-3-carboxylate | {"alternativeParents":["CHEMONTID:0000051","CHEMONTID:0002414","CHEMONTID:0002458","CHEMONTID:0000283","CHEMONTID:0003886","CHEMONTID:0003890","CHEMONTID:0004144","CHEMONTID:0001238","CHEMONTID:0000347","CHEMONTID:0004139","CHEMONTID:0000323","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0001564","... | null | null |
InChI=1S/C20H15BrClF2N3O2S/c1-3-9-26(19(28)14-10-12(17(23)24)5-7-15(14)21)18-20(30(29)4-2)27-11-13(22)6-8-16(27)25-18/h1,5-8,10-11,17H,4,9H2,2H3 | AQXYJMITROCDMC-UHFFFAOYSA-N | CC[S](=O)C1=C(N=C2C=CC(Cl)=CN12)N(CC#C)C(=O)C1=CC(=CC=C1Br)C(F)F | C20H15BrClF2N3O2S | null | null | 2-bromo-N-[6-chloro-3-(ethanesulfinyl)imidazo[1,2-a]pyridin-2-yl]-5-(difluoromethyl)-N-(prop-2-yn-1-yl)benzamide | null | null | null |
InChI=1S/C24H20N12O2/c1-34-7-6-27-20(34)16-10-28-24(29-11-16)31-21(37)19-18(12-35-8-5-26-13-35)30-14-36(19)17-4-2-3-15(9-17)22-32-33-23(25)38-22/h2-11,13-14H,12H2,1H3,(H2,25,33)(H,28,29,31,37) | AQXZTRVOLFTSIC-UHFFFAOYSA-N | CN1C=CN=C1C1=CN=C(NC(=O)C2=C(CN3C=CN=C3)N=CN2C2=CC(=CC=C2)C2=NN=C(N)O2)N=C1 | C24H20N12O2 | null | null | 1-[3-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]-4-[(1H-imidazol-1-yl)methyl]-N-[5-(1-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]-1H-imidazole-5-carboxamide | null | null | null |
InChI=1S/C19H19F5N6O2/c1-10(25-18(31)13-9-29(3)28-16(13)17(20)21)8-12-4-5-14(11(2)26-12)30-7-6-15(27-30)32-19(22,23)24/h4-7,9-10,17H,8H2,1-3H3,(H,25,31) | AQYBEGBMLSAAIS-UHFFFAOYSA-N | CC(CC1=NC(C)=C(C=C1)N1C=CC(OC(F)(F)F)=N1)NC(=O)C1=CN(C)N=C1C(F)F | C19H19F5N6O2 | null | null | 3-(difluoromethyl)-1-methyl-N-(1-{6-methyl-5-[3-(trifluoromethoxy)-1H-pyrazol-1-yl]pyridin-2-yl}propan-2-yl)-1H-pyrazole-4-carboxamide | null | null | null |
InChI=1S/C20H18ClF2NO2/c1-13-5-7-14(8-6-13)17(12-24)15(9-10-26-19(25)11-22)16-3-2-4-18(21)20(16)23/h2-8,15,17H,9-11H2,1H3/t15-,17-/m0/s1 | AQYCQQPTXSKORK-RDJZCZTQSA-N | CC1=CC=C(C=C1)[C@H](C#N)[C@@H](CCOC(=O)CF)C1=C(F)C(Cl)=CC=C1 | C20H18ClF2NO2 | null | null | (3R,4R)-3-(3-chloro-2-fluorophenyl)-4-cyano-4-(4-methylphenyl)butyl 2-fluoroacetate | null | null | null |
InChI=1S/C26H28ClNO5/c1-5-7-8-9-17-31-23-15-12-21(18-24(23)30-4)19(3)33-28-26(29)25(32-16-6-2)20-10-13-22(27)14-11-20/h2,10-15,18-19,25H,5,7,16-17H2,1,3-4H3,(H,28,29) | AQYNSPNGHHDQAM-UHFFFAOYSA-N | CCCC#CCOC1=C(OC)C=C(C=C1)C(C)ONC(=O)C(OCC#C)C1=CC=C(Cl)C=C1 | C26H28ClNO5 | null | null | 2-(4-chlorophenyl)-N-{1-[4-(hex-2-yn-1-yloxy)-3-methoxyphenyl]ethoxy}-2-(prop-2-yn-1-yloxy)acetamide | null | null | null |
InChI=1S/C10H18BN5O4S/c12-9(13)14-3-1-2-7(11(19)20)15-8(17)6-16-4-5-21-10(16)18/h4-5,7,19-20H,1-3,6H2,(H,15,17)(H4,12,13,14) | AQYRXQXPVBRAPR-UHFFFAOYSA-N | NC(=N)NCCCC(NC(=O)CN1C=CSC1=O)B(O)O | C10H18BN5O4S | null | null | {4-carbamimidamido-1-[2-(2-oxo-2,3-dihydro-1,3-thiazol-3-yl)acetamido]butyl}boronic acid | null | null | null |
InChI=1S/C18H16F7NS/c19-14-7-5-12(6-8-14)9-26(11-16(27)18(23,24)25)10-13-3-1-2-4-15(13)17(20,21)22/h1-8,16,27H,9-11H2 | AQZBLYNLWPZCAG-UHFFFAOYSA-N | FC1=CC=C(CN(CC(S)C(F)(F)F)CC2=C(C=CC=C2)C(F)(F)F)C=C1 | C18H16F7NS | FC1=CC=C(CN(CC(S)C(F)(F)F)CC2=C(C=CC=C2)C(F)(F)F)C=C1 | null | 1,1,1-trifluoro-3-{[(4-fluorophenyl)methyl]({[2-(trifluoromethyl)phenyl]methyl})amino}propane-2-thiol | null | null | null |
InChI=1S/C13H12F3N3O2S/c1-2-18-6-5-9(17-18)10-3-4-11(21-13(14,15)16)12(22)19(10)7-8-20/h3-6,8H,2,7H2,1H3 | AQZDHTAQWWAKGY-UHFFFAOYSA-N | CCN1C=CC(=N1)C1=CC=C(OC(F)(F)F)C(=S)N1CC=O | C13H12F3N3O2S | null | null | 2-[6-(1-ethyl-1H-pyrazol-3-yl)-2-sulfanylidene-3-(trifluoromethoxy)-1,2-dihydropyridin-1-yl]acetaldehyde | null | null | null |
InChI=1S/C27H39N7O/c35-27(33-13-5-4-12-28-18-22-6-2-1-3-7-22)24-10-8-23(9-11-24)19-34(20-25-29-14-15-30-25)21-26-31-16-17-32-26/h8-11,14-17,22,28H,1-7,12-13,18-21H2,(H,29,30)(H,31,32)(H,33,35) | AQZDMZQQAHTFHD-UHFFFAOYSA-N | O=C(NCCCCNCC1CCCCC1)C1=CC=C(CN(CC2=NC=CN2)CC2=NC=CN2)C=C1 | C27H39N7O | C1CCC(CC1)CNCCCCNC(=O)C2=CC=C(C=C2)CN(CC3=NC=CN3)CC4=NC=CN4 | 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(cyclohexylmethylamino)butyl]benzamide | 4-({bis[(1H-imidazol-2-yl)methyl]amino}methyl)-N-{4-[(cyclohexylmethyl)amino]butyl}benzamide | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0000185","CHEMONTID:0002673","CHEMONTID:0000321","CHEMONTID:0003899","CHEMONTID:0000078","CHEMONTID:0004144","CHEMONTID:0002239","CHEMONTID:0001663","CHEMONTID:0000347","CHEMONTID:0002228","CHEMONTID:0004139","CHEMONTID:0000323","CHEMONTID:0003940","CHEMONTID:000... | {"jp":1,"ep":1,"ca":1,"us":4} | null |
InChI=1S/C20H17F3N2OS/c1-14(25-26-13-16-2-3-16)19-12-24-11-10-17(19)7-4-15-5-8-18(9-6-15)27-20(21,22)23/h5-6,8-12,16H,2-3,13H2,1H3/b25-14+ | AQZDTKYXUFNLIS-AFUMVMLFSA-N | C\C(=N/OCC1CC1)C1=CN=CC=C1C#CC1=CC=C(SC(F)(F)F)C=C1 | C20H17F3N2OS | null | null | (E)-(cyclopropylmethoxy)({1-[4-(2-{4-[(trifluoromethyl)sulfanyl]phenyl}ethynyl)pyridin-3-yl]ethylidene})amine | null | null | null |
InChI=1S/C23H26N2O3/c1-13-2-4-15(5-3-13)18-6-7-19(28-18)21(26)25-20-16-8-14-9-17(20)12-23(10-14,11-16)22(24)27/h2-7,14,16-17,20H,8-12H2,1H3,(H2,24,27)(H,25,26)/t14?,16-,17+,20-,23? | AQZJXTYUENKGJE-FLBUYBSESA-N | [H][C@]12CC3C[C@]([H])(CC(C3)(C1)C(N)=O)[C@H]2NC(=O)C1=CC=C(O1)C1=CC=C(C)C=C1 | C23H26N2O3 | [H]C12CC3CC([H])(CC(C3)(C1)C(N)=O)C2NC(=O)C1=CC=C(O1)C1=CC=C(C)C=C1 | null | 5-(4-methylphenyl)-N-[(1R,2s,3S)-5-carbamoyladamantan-2-yl]furan-2-carboxamide | null | null | null |
InChI=1S/C17H15F7N6O3S/c1-3-34(31,32)13-12(9-6-26-11(7-25-9)33-8-16(20,21)15(18)19)28-29(2)14(13)30-5-4-10(27-30)17(22,23)24/h4-7,15H,3,8H2,1-2H3 | AQZKQNICWZBZPZ-UHFFFAOYSA-N | CC[S](=O)(=O)C1=C(N(C)N=C1C1=NC=C(OCC(F)(F)C(F)F)N=C1)N1C=CC(=N1)C(F)(F)F | C17H15F7N6O3S | null | null | 4'-(ethanesulfonyl)-2'-methyl-5'-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-3-(trifluoromethyl)-2'H-1,3'-bipyrazole | null | null | null |
InChI=1S/C23H31N7O/c1-3-10-30-22-18(17-24-30)21(25-23(26-22)29-11-6-7-12-29)28-15-13-27(14-16-28)19-8-4-5-9-20(19)31-2/h4-5,8-9,17H,3,6-7,10-16H2,1-2H3 | AQZMQRYHTXWJNE-UHFFFAOYSA-N | CCCN1N=CC2=C(N=C(N=C12)N1CCCC1)N1CCN(CC1)C1=C(OC)C=CC=C1 | C23H31N7O | null | null | 1-(2-methoxyphenyl)-4-[1-propyl-6-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine | null | null | null |
InChI=1S/C15H20N2O5S/c1-23-14-16-9-11(13(19)20)12(18)17(14)10-3-2-5-15(6-4-10)21-7-8-22-15/h9-10H,2-8H2,1H3,(H,19,20) | AQZMSOMBQQIKLM-UHFFFAOYSA-N | CSC1=NC=C(C(O)=O)C(=O)N1C1CCCC2(CC1)OCCO2 | C15H20N2O5S | null | null | 1-{1,4-dioxaspiro[4.6]undecan-8-yl}-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid | null | null | null |
InChI=1S/C22H18F2N4O2/c1-13-7-10-19(30-13)18-9-8-14(11-25-18)15-5-3-4-6-17(15)26-22(29)16-12-28(2)27-20(16)21(23)24/h3-12,21H,1-2H3,(H,26,29) | AQZMWMXQJYWQKU-UHFFFAOYSA-N | CN1C=C(C(=O)NC2=C(C=CC=C2)C2=CN=C(C=C2)C2=CC=C(C)O2)C(=N1)C(F)F | C22H18F2N4O2 | null | null | 3-(difluoromethyl)-1-methyl-N-{2-[6-(5-methylfuran-2-yl)pyridin-3-yl]phenyl}-1H-pyrazole-4-carboxamide | null | null | null |
InChI=1S/C21H23N3O4/c1-5-27-18-11-16-19(24-14-7-9-15(26-4)10-8-14)17(21(25)28-6-2)12-22-20(16)23-13(18)3/h7-12H,5-6H2,1-4H3,(H,22,23,24) | AQZNKLJRHSWVOV-UHFFFAOYSA-N | CCOC1=C(N=C2C(=C1)C(=C(C=N2)C(=O)OCC)NC3=CC=C(C=C3)OC)C | C21H23N3O4 | CCOC1=C(N=C2C(=C1)C(=C(C=N2)C(=O)OCC)NC3=CC=C(C=C3)OC)C | ethyl 6-ethoxy-4-(4-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate | ethyl 6-ethoxy-4-[(4-methoxyphenyl)amino]-7-methyl-1,8-naphthyridine-3-carboxylate | {"alternativeParents":["CHEMONTID:0004670","CHEMONTID:0003999","CHEMONTID:0002414","CHEMONTID:0000138","CHEMONTID:0004113","CHEMONTID:0004742","CHEMONTID:0004152","CHEMONTID:0000128","CHEMONTID:0000283","CHEMONTID:0002453","CHEMONTID:0004144","CHEMONTID:0003890","CHEMONTID:0000347","CHEMONTID:0001238","CHEMONTID:000245... | {"cn":1,"ep":2,"fi":1,"jp":1,"us":1,"wo":1} | null |
InChI=1S/C20H13F6N3OS/c1-9(2)10-3-4-14-11(7-10)16(30)12-8-13(17(20(24,25)26)27-18(12)31-14)29-6-5-15(28-29)19(21,22)23/h3-8,16,30H,1H2,2H3 | AQZPVVNPRRLNEF-UHFFFAOYSA-N | CC(=C)C1=CC2=C(C=C1)SC3=NC(=C(C=C3C2O)N4C=CC(=N4)C(F)(F)F)C(F)(F)F | C20H13F6N3OS | CC(=C)C1=CC2=C(C=C1)SC3=NC(=C(C=C3C2O)N4C=CC(=N4)C(F)(F)F)C(F)(F)F | 7-prop-1-en-2-yl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]-5H-thiochromeno[2,3-b]pyridin-5-ol | 7-(prop-1-en-2-yl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-5H-thiochromeno[2,3-b]pyridin-5-ol | null | null | null |
InChI=1S/C10H10N4.C10H8N2.2ClH.Cu/c1-14-8-7-11-10(14)13-12-9-5-3-2-4-6-9;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2-8H,1H3;1-8H;2*1H;/q;;;;+2/p-2 | AQZRGLLCUOFGHL-UHFFFAOYSA-L | [Cl-].[Cl-].CN1C=C[N]2=C1N=[N](C1=CC=CC=C1)[Cu++]21[N]2=CC=CC=C2C2=CC=CC=[N]12 | C20H18Cl2CuN6 | null | null | null | null | null | null |
InChI=1S/C23H29N7O4/c1-24-19-11-18(27-17-3-2-8-29(22(17)33)9-10-34-15-4-5-15)28-20-16(12-26-30(19)20)21(32)25-13-23(14-31)6-7-23/h2-3,8,11-12,15,24,31H,4-7,9-10,13-14H2,1H3,(H,25,32)(H,27,28) | AQZSOCIZOONTNK-UHFFFAOYSA-N | CNC1=CC(=NC2=C(C=NN12)C(=O)NCC3(CC3)CO)NC4=CC=CN(C4=O)CCOC5CC5 | C23H29N7O4 | CNC1=CC(=NC2=C(C=NN12)C(=O)NCC3(CC3)CO)NC4=CC=CN(C4=O)CCOC5CC5 | 5-[[1-(2-cyclopropyloxyethyl)-2-oxopyridin-3-yl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide | 5-{[1-(2-cyclopropoxyethyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-{[1-(hydroxymethyl)cyclopropyl]methyl}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide | null | null | null |
InChI=1S/C5H11BrO2/c1-5(4-6)8-3-2-7/h5,7H,2-4H2,1H3 | AQZUNKPPVRGLBK-UHFFFAOYSA-N | CC(CBr)OCCO | C5H11BrO2 | CC(CBr)OCCO | 2-(1-bromopropan-2-yloxy)ethanol | 2-[(1-bromopropan-2-yl)oxy]ethan-1-ol | null | null | null |
InChI=1S/C16H20ClN3O2/c1-10-7-11(2)13(12(3)8-10)14(17)20-22-15(21)18-9-19-16(4,5)6/h7-8H,1-6H3 | AQZVHPQVSBPLJE-UHFFFAOYSA-N | CC1=CC(C)=C(C(Cl)=NOC(=O)N=C=NC(C)(C)C)C(C)=C1 | C16H20ClN3O2 | null | null | [chloro(2,4,6-trimethylphenyl)methylidene]amino N-[(tert-butylimino)methylidene]carbamate | null | null | null |
InChI=1S/C24H19ClF6N6O2/c1-35-10-20(24(29,30)31)32-21(35)14-8-16(23(26,27)28)19(9-17(14)25)39-11-15-13(12-6-7-12)4-3-5-18(15)37-22(38)36(2)33-34-37/h3-5,8-10,12H,6-7,11H2,1-2H3 | AQZVZIBWGZZXGH-UHFFFAOYSA-N | CN1C=C(N=C1C1=CC(=C(OCC2=C(C=CC=C2C2CC2)N2N=NN(C)C2=O)C=C1Cl)C(F)(F)F)C(F)(F)F | C24H19ClF6N6O2 | null | null | 1-[2-({5-chloro-4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)phenoxy}methyl)-3-cyclopropylphenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C17H19FN4O4S/c1-17(2,16-20-19-15(26-16)10-27(4,23)24)22-8-7-14(21-22)12-9-11(25-3)5-6-13(12)18/h5-9H,10H2,1-4H3 | AQZWWHIHDCKYTQ-UHFFFAOYSA-N | COC1=CC=C(F)C(=C1)C1=NN(C=C1)C(C)(C)C1=NN=C(C[S](C)(=O)=O)O1 | C17H19FN4O4S | null | null | 2-{2-[3-(2-fluoro-5-methoxyphenyl)-1H-pyrazol-1-yl]propan-2-yl}-5-(methanesulfonylmethyl)-1,3,4-oxadiazole | null | null | null |
InChI=1S/C22H35NO6/c1-14-6-7-17-15(2)19(25-18(24)9-13-23-11-4-5-12-23)26-20-22(17)16(14)8-10-21(3,27-20)28-29-22/h14-17,19-20H,4-13H2,1-3H3/t14-,15-,16+,17+,19-,20-,21-,22-/m1/s1 | AQZYFQJZCAVQTH-ZBFLUBEFSA-N | C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCN5CCCC5)C | C22H35NO6 | CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCN5CCCC5)C | [(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl] 3-pyrrolidin-1-ylpropanoate | (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0⁴,¹³.0⁸,¹³]hexadecan-10-yl 3-(pyrrolidin-1-yl)propanoate | {"alternativeParents":["CHEMONTID:0001729","CHEMONTID:0001853","CHEMONTID:0002012","CHEMONTID:0003449","CHEMONTID:0002239","CHEMONTID:0003951","CHEMONTID:0001238","CHEMONTID:0000347","CHEMONTID:0004140","CHEMONTID:0001137","CHEMONTID:0004139","CHEMONTID:0001656","CHEMONTID:0004557","CHEMONTID:0004150","CHEMONTID:000183... | null | null |
InChI=1S/C18H23NO2/c1-13(2)11-18(12-19,16(20)21-17(4,5)6)15-9-7-8-14(3)10-15/h7-10H,1,11H2,2-6H3/t18-/m0/s1 | ARAGTLWXPFPKKD-SFHVURJKSA-N | CC(=C)C[C@@](C#N)(C(=O)OC(C)(C)C)C1=CC(C)=CC=C1 | C18H23NO2 | null | null | tert-butyl (2R)-2-cyano-4-methyl-2-(3-methylphenyl)pent-4-enoate | null | null | null |
InChI=1S/C27H34N2O14/c1-14(30)38-13-20-23(40-15(2)31)24(41-16(3)32)22(26(43-20)42-17(4)33)29-25(36)19(10-11-21(34)35)28-27(37)39-12-18-8-6-5-7-9-18/h5-9,19-20,22-24,26H,10-13H2,1-4H3,(H,28,37)(H,29,36)(H,34,35)/t19?,20-,22-,23-,24-,26?/m1/s1 | ARALZDBHJOOEMU-SUMADPHBSA-N | CC(=O)OC[C@H]1OC(OC(C)=O)[C@H](NC(=O)C(CCC(O)=O)NC(=O)OCC2=CC=CC=C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O | C27H34N2O14 | CC(=O)OCC1OC(OC(C)=O)C(NC(=O)C(CCC(O)=O)NC(=O)OCC2=CC=CC=C2)C(OC(C)=O)C1OC(C)=O | null | 4-{[(benzyloxy)carbonyl]amino}-4-{[(3R,4R,5S,6R)-2,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-3-yl]carbamoyl}butanoic acid | null | null | null |
InChI=1S/C15H11F5N2O3S/c16-12(17)5-4-10-13-9(2-1-3-11(13)26(23)25-10)24-14-21-6-8(7-22-14)15(18,19)20/h1-3,6-7,10,12H,4-5H2 | ARAOVSXAIFNJEL-UHFFFAOYSA-N | FC(F)CCC1O[S](=O)C2=CC=CC(OC3=NC=C(C=N3)C(F)(F)F)=C12 | C15H11F5N2O3S | null | null | 3-(3,3-difluoropropyl)-4-{[5-(trifluoromethyl)pyrimidin-2-yl]oxy}-3H-2,1λ⁴-benzoxathiol-1-one | null | null | null |
InChI=1S/C22H22F3N7O3/c1-4-6-20-26-13(2)27-31(20)14-9-10-19(16(23)11-14)34-12-15-17(32-22(33)30(3)28-29-32)7-5-8-18(15)35-21(24)25/h5,7-11,21H,4,6,12H2,1-3H3 | ARASJLFDOJVXEW-UHFFFAOYSA-N | CCCC1=NC(C)=NN1C1=CC(F)=C(OCC2=C(C=CC=C2OC(F)F)N2N=NN(C)C2=O)C=C1 | C22H22F3N7O3 | null | null | 1-[3-(difluoromethoxy)-2-{[2-fluoro-4-(3-methyl-5-propyl-1H-1,2,4-triazol-1-yl)phenoxy]methyl}phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C17H16N4O3S/c1-11-3-6-16(19-10-11)25(23,24)21-8-7-15(20-21)13-5-4-12(2)14(9-13)17(18)22/h3-10H,1-2H3,(H2,18,22) | ARAWNLDUSRPNPV-UHFFFAOYSA-N | CC1=CC=C(N=C1)[S](=O)(=O)N1C=CC(=N1)C1=CC(C(N)=O)=C(C)C=C1 | C17H16N4O3S | null | null | 2-methyl-5-{1-[(5-methylpyridin-2-yl)sulfonyl]-1H-pyrazol-3-yl}benzamide | null | null | null |
InChI=1S/C16H11BrF3N5O/c1-2-10-3-4-12(25-24-10)13-14(11(5-6-21-13)16(18,19)20)26-15-22-7-9(17)8-23-15/h3-8H,2H2,1H3 | ARAYTQYVOBAPDQ-UHFFFAOYSA-N | CCC1=CC=C(N=N1)C1=C(OC2=NC=C(Br)C=N2)C(=CC=N1)C(F)(F)F | C16H11BrF3N5O | null | null | 3-{3-[(5-bromopyrimidin-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-yl}-6-ethylpyridazine | null | null | null |
InChI=1S/C17H25F2N3O2S2/c1-12-7-5-6-10-22(12)14(23)11-24-16-21-20-15(25-16)17(18,19)26-13-8-3-2-4-9-13/h12-13H,2-11H2,1H3 | ARBAEWQIGYVQTB-UHFFFAOYSA-N | CC1CCCCN1C(=O)COC1=NN=C(S1)C(F)(F)SC1CCCCC1 | C17H25F2N3O2S2 | null | null | 2-({5-[(cyclohexylsulfanyl)difluoromethyl]-1,3,4-thiadiazol-2-yl}oxy)-1-(2-methylpiperidin-1-yl)ethan-1-one | null | null | null |
InChI=1S/C24H20F4N4O2/c1-14-19-12-18(7-8-20(19)31-30-14)32(23(34)22(33)16-3-5-17(25)6-4-16)11-10-15-2-9-21(29-13-15)24(26,27)28/h2-9,12-13,22,33H,10-11H2,1H3,(H,30,31)/t22-/m0/s1 | ARBBJZBCOSXIFF-QFIPXVFZSA-N | CC1=C2C=C(C=CC2=NN1)N(CCC3=CN=C(C=C3)C(F)(F)F)C(=O)[C@H](C4=CC=C(C=C4)F)O | C24H20F4N4O2 | CC1=C2C=C(C=CC2=NN1)N(CCC3=CN=C(C=C3)C(F)(F)F)C(=O)C(C4=CC=C(C=C4)F)O | (2S)-2-(4-fluorophenyl)-2-hydroxy-N-(3-methyl-2H-indazol-5-yl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide | (2S)-2-(4-fluorophenyl)-2-hydroxy-N-(3-methyl-1H-indazol-5-yl)-N-{2-[6-(trifluoromethyl)pyridin-3-yl]ethyl}acetamide | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0000080","CHEMONTID:0001100","CHEMONTID:0000089","CHEMONTID:0001031","CHEMONTID:0001664","CHEMONTID:0000087","CHEMONTID:0004144","CHEMONTID:0002452","CHEMONTID:0001661","CHEMONTID:0000347","CHEMONTID:0004139","CHEMONTID:0001831","CHEMONTID:0001027","CHEMONTID:000... | {"jp":1,"wo":1,"cn":1,"ep":1,"ca":1,"us":2} | null |
InChI=1S/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-18(5)23(10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52)53)29(41-25)15-28-22(9-11-30(44)45)17(4)24(40-28)13-26-16(3)21(8-2)37(51)42-26/h7-8,13-14,32-35,39-41,47-49H,1-2,9-12,15H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)(H,52,53)/b26-13+,27-14+/t32-,33-,34+,35-,39+/m0/s... | ARBDURHEPGRPSR-GEADQAOESA-N | CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C/3\C(=C(C(=O)N3)C)C=C)C)CCC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)/C=C/5\C(=C(C(=O)N5)C=C)C | C39H44N4O12 | CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O)C=C5C(=C(C(=O)N5)C=C)C | (2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | (2S,3S,4S,5R,6S)-6-{[3-(2-{[3-(2-carboxyethyl)-5-{[(2E)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2E)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | {"alternativeParents":["CHEMONTID:0002813","CHEMONTID:0001498","CHEMONTID:0001986","CHEMONTID:0001713","CHEMONTID:0000324","CHEMONTID:0002257","CHEMONTID:0002012","CHEMONTID:0000086","CHEMONTID:0000091","CHEMONTID:0004144","CHEMONTID:0000160","CHEMONTID:0001661","CHEMONTID:0001663","CHEMONTID:0001238","CHEMONTID:000414... | {"ca":13,"de":2,"ep":21,"fi":1,"gb":14,"ie":1,"il":1,"no":1,"se":3,"us":61,"wo":43} | null |
InChI=1S/C23H27BrN2O3/c1-7-14-9-10-16-15(11-14)12-23(4,5)13(3)18(16)19-20(29-17(27)8-2)21(24)25-26(6)22(19)28/h9-11H,7-8,12H2,1-6H3 | ARBGKQPLPPYZTB-UHFFFAOYSA-N | CCC(=O)OC1=C(C(=O)N(C)N=C1Br)C1=C(C)C(C)(C)CC2=CC(CC)=CC=C12 | C23H27BrN2O3 | null | null | 3-bromo-5-(6-ethyl-2,3,3-trimethyl-3,4-dihydronaphthalen-1-yl)-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl propanoate | null | null | null |
InChI=1S/C28H26ClF3N2O6S2/c29-22-5-1-3-19(15-22)20-7-9-26-25(16-20)34(42(38,39)24-6-2-4-21(17-24)28(30,31)32)18-23(40-26)8-10-27(35)33-11-13-41(36,37)14-12-33/h1-7,9,15-17,23H,8,10-14,18H2/t23-/m0/s1 | ARBHVTQWYURAFK-QHCPKHFHSA-N | FC(F)(F)C1=CC=CC(=C1)[S](=O)(=O)N1C[C@H](CCC(=O)N2CC[S](=O)(=O)CC2)OC2=CC=C(C=C12)C1=CC(Cl)=CC=C1 | C28H26ClF3N2O6S2 | FC(F)(F)C1=CC=CC(=C1)S(=O)(=O)N1CC(CCC(=O)N2CCS(=O)(=O)CC2)OC2=CC=C(C=C12)C1=CC(Cl)=CC=C1 | 3-[(2S)-6-(3-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one | 4-{3-[(2S)-6-(3-chlorophenyl)-4-[3-(trifluoromethyl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-2-yl]propanoyl}-1λ⁶-thiomorpholine-1,1-dione | null | null | null |
InChI=1S/C28H34N4O3S/c1-8-10-26-27(34-7)23(16-36-26)21-13-19(5)25(14-18(21)4)35-15-22-20(17(2)3)11-9-12-24(22)32-28(33)31(6)29-30-32/h9,11-14,16-17H,8,10,15H2,1-7H3 | ARBIGQULGBSUMP-UHFFFAOYSA-N | CCCC1=C(OC)C(=CS1)C1=CC(C)=C(OCC2=C(C=CC=C2C(C)C)N2N=NN(C)C2=O)C=C1C | C28H34N4O3S | null | null | 1-(2-{[4-(4-methoxy-5-propylthiophen-3-yl)-2,5-dimethylphenoxy]methyl}-3-(propan-2-yl)phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C30H38N2O5/c1-31(30(35)37-22-24-14-7-3-8-15-24)27(25-16-9-4-10-17-25)20-28(33)32-19-11-18-26(32)29(34)36-21-23-12-5-2-6-13-23/h2-3,5-8,12-15,25-27H,4,9-11,16-22H2,1H3/t26-,27?/m0/s1 | ARBMTHAIIHWTGN-QBHOUYDASA-N | CN(C(CC(=O)N1CCC[C@H]1C(=O)OCC1=CC=CC=C1)C1CCCCC1)C(=O)OCC1=CC=CC=C1 | C30H38N2O5 | CN(C(CC(=O)N1CCCC1C(=O)OCC1=CC=CC=C1)C1CCCCC1)C(=O)OCC1=CC=CC=C1 | null | benzyl (2S)-1-(3-{[(benzyloxy)carbonyl](methyl)amino}-3-cyclohexylpropanoyl)pyrrolidine-2-carboxylate | null | null | null |
InChI=1S/C18H20F2N4OS/c1-23-9-13(21-10-23)7-11-5-6-24(2)18(25)16(11)17(26)22-15-4-3-12(19)8-14(15)20/h3-4,8-11,16H,5-7H2,1-2H3,(H,22,26) | ARBPSVOOKJLDLJ-UHFFFAOYSA-N | CN1C=NC(CC2CCN(C)C(=O)C2C(=S)NC2=C(F)C=C(F)C=C2)=C1 | C18H20F2N4OS | null | null | N-(2,4-difluorophenyl)-1-methyl-4-[(1-methyl-1H-imidazol-4-yl)methyl]-2-oxopiperidine-3-carbothioamide | null | null | null |
InChI=1S/C34H33F4N5O3.C2HF3O2/c1-2-21-24(36)6-4-17-10-20(44)11-22(27(17)21)28-25(37)12-23-30(29(28)38)40-33(46-16-34-8-3-9-42(34)15-18(35)13-34)41-31(23)43-19-5-7-26(43)32(45)39-14-19;3-2(4,5)1(6)7/h4,6,10-12,18-19,26,44H,2-3,5,7-9,13-16H2,1H3,(H,39,45);(H,6,7)/t18-,19-,26+,34+;/m1./s1 | ARBUZSNKRDTHKP-ROIGSUGUSA-N | OC(=O)C(F)(F)F.[H][C@]12CC[C@]([H])(N1C1=NC(OC[C@@]34CCCN3C[C@H](F)C4)=NC3=C1C=C(F)C(=C3F)C1=CC(O)=CC3=C1C(CC)=C(F)C=C3)C(=O)NC2 | C36H34F7N5O5 | null | null | (1S,5R)-8-(2-{[(2R,7aS)-2-fluoro-hexahydro-1H-pyrrolizin-7a-yl]methoxy}-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octan-2-one; trifluoroacetic acid | null | null | null |
InChI=1S/C26H32BrNO6/c1-4-31-24(29)21-16(2)28-17(3)22(23(21)19-10-6-7-11-20(19)27)25(30)32-14-18-15-33-26(34-18)12-8-5-9-13-26/h6-7,10-11,18,23,28H,4-5,8-9,12-15H2,1-3H3 | ARBXILQOOBPDCB-UHFFFAOYSA-N | CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Br)C=CC=C1)C(=O)OCC1COC2(CCCCC2)O1 | C26H32BrNO6 | null | null | 3-{1,4-dioxaspiro[4.5]decan-2-yl}methyl 5-ethyl 4-(2-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | null | null | null |
InChI=1S/C39H65N9O13S/c1-8-19(4)30(36(57)42-20(5)31(52)43-23(15-18(2)3)34(55)45-25(17-62)39(60)61)46-32(53)21(6)41-33(54)24(16-28(50)51)44-35(56)26-11-9-13-47(26)37(58)27-12-10-14-48(27)38(59)29(40)22(7)49/h18-27,29-30,49,62H,8-17,40H2,1-7H3,(H,41,54)(H,42,57)(H,43,52)(H,44,56)(H,45,55)(H,46,53)(H,50,51)(H,60,61)/t19-,... | ARBYCRJWENXUGE-BVMHMJELSA-N | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(O)=O | C39H65N9O13S | null | null | (3S)-3-{[(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}ethyl]carbamoyl}propanoic acid | null | null | null |
InChI=1S/C29H29FN4O5/c1-3-33(26(35)21-11-5-4-6-12-21)19-29(27(36)31-24-14-7-8-15-25(24)34(38)39)23(18-32(2)28(29)37)22-13-9-10-20(16-22)17-30/h4-16,23H,3,17-19H2,1-2H3,(H,31,36) | ARBZEPQFEVIKKY-UHFFFAOYSA-N | CCN(CC1(C(CN(C)C1=O)C1=CC(CF)=CC=C1)C(=O)NC1=C(C=CC=C1)[N](=O)=O)C(=O)C1=CC=CC=C1 | C29H29FN4O5 | null | null | 3-[(N-ethyl-1-phenylformamido)methyl]-4-[3-(fluoromethyl)phenyl]-1-methyl-N-(2-nitrophenyl)-2-oxopyrrolidine-3-carboxamide | null | null | null |
InChI=1S/2C5H5.Tl/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+3 | ARBZVHOOCLHKCU-UHFFFAOYSA-N | [Tl+3]([CH-]1C=CC=C1)[CH-]1C=CC=C1 | C10H10Tl | null | null | 1-[(cyclopenta-2,4-dien-1-uid-1-yl)thallanetris(ylium)yl]cyclopenta-2,4-dien-1-uide | null | null | null |
InChI=1S/C16H19F3N2O.C7H8O3S/c17-16(18,19)15(2-3-15)12-1-4-21(13(22)5-12)8-11-6-14(7-11)9-20-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h1,4-5,11,20H,2-3,6-10H2;2-5H,1H3,(H,8,9,10) | ARCGEHUNAUNPEW-UHFFFAOYSA-N | CC1=CC=C(C=C1)[S](O)(=O)=O.FC(F)(F)C1(CC1)C1=CC(=O)N(CC2CC3(CNC3)C2)C=C1 | C23H27F3N2O4S | null | null | 1-({2-azaspiro[3.3]heptan-6-yl}methyl)-4-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydropyridin-2-one; 4-methylbenzene-1-sulfonic acid | null | null | null |
InChI=1S/C25H34BrClN2O4/c1-8-18-21-22(32-13-14(2)3)20(19-15(4)11-16(26)12-17(19)27)23(30)29(21)10-9-28(18)24(31)33-25(5,6)7/h11-12,14,18,21H,8-10,13H2,1-7H3 | ARCGXVDKXIDWBF-UHFFFAOYSA-N | CCC1C2N(CCN1C(=O)OC(C)(C)C)C(=O)C(=C2OCC(C)C)C1=C(C)C=C(Br)C=C1Cl | C25H34BrClN2O4 | null | null | tert-butyl 7-(4-bromo-2-chloro-6-methylphenyl)-1-ethyl-8-(2-methylpropoxy)-6-oxo-1H,2H,3H,4H,6H,8aH-pyrrolo[1,2-a]pyrazine-2-carboxylate | null | null | null |
InChI=1S/C19H18F6N2O2S/c1-3-17(20,30(28,29)9-8-18(21,22)19(23,24)25)12(2)16-15-7-5-4-6-14(15)13(10-26)11-27-16/h4-7,11-12H,3,8-9H2,1-2H3 | ARCMGLUBTTTYKX-UHFFFAOYSA-N | CCC(F)(C(C)C1=NC=C(C#N)C2=C1C=CC=C2)[S](=O)(=O)CCC(F)(F)C(F)(F)F | C19H18F6N2O2S | null | null | 1-[3-fluoro-3-(3,3,4,4,4-pentafluorobutanesulfonyl)pentan-2-yl]isoquinoline-4-carbonitrile | null | null | null |
InChI=1S/C16H26N4O3S/c1-16(2,3)23-15(22)20-7-5-6-12(9-20)18-13-11(10-21)8-17-14(19-13)24-4/h8,12,21H,5-7,9-10H2,1-4H3,(H,17,18,19)/t12-/m1/s1 | ARCMTJBSCSGIMA-GFCCVEGCSA-N | CSC1=NC=C(CO)C(N[C@@H]2CCCN(C2)C(=O)OC(C)(C)C)=N1 | C16H26N4O3S | null | null | tert-butyl (3R)-3-{[5-(hydroxymethyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}piperidine-1-carboxylate | null | null | null |
InChI=1S/C9H9N5O2/c1-13-8(15)4-3-5-7(10-6(4)11-13)12-14(2)9(5)16/h3H,1-2H3,(H2,10,11,12) | ARCNWMDWTODXHA-UHFFFAOYSA-N | CN1NC2=C(C=C3C(=O)N(C)N=C3N2)C1=O | C9H9N5O2 | null | null | 5,11-dimethyl-2,4,5,11,12-pentaazatricyclo[7.3.0.0³,⁷]dodeca-1(9),3,7-triene-6,10-dione | null | null | null |
InChI=1S/C28H30ClNO2/c1-31-25-12-13-27-23(20-25)6-5-7-26(21-14-17-30-18-15-21)28(27)22-8-10-24(11-9-22)32-19-4-2-3-16-29/h8-15,17-18,20H,2-7,16,19H2,1H3 | ARCQAOSJMHVEKS-UHFFFAOYSA-N | COC1=CC=C2C(CCCC(C3=CC=NC=C3)=C2C2=CC=C(OCCCCCCl)C=C2)=C1 | C28H30ClNO2 | null | null | 4-(9-{4-[(5-chloropentyl)oxy]phenyl}-3-methoxy-6,7-dihydro-5H-benzo[7]annulen-8-yl)pyridine | null | null | null |
InChI=1S/C8H9F3N2O2/c9-8(10,11)5-13-7(14)3-6-4-15-2-1-12(6)13/h3H,1-2,4-5H2 | ARCQMKQJYYDTHT-UHFFFAOYSA-N | FC(F)(F)CN1N2CCOCC2=CC1=O | C8H9F3N2O2 | null | null | 1-(2,2,2-trifluoroethyl)-1H,2H,4H,6H,7H-pyrazolo[3,2-c][1,4]oxazin-2-one | null | null | null |
InChI=1S/C15H16F4N4O/c1-10-4-5-11(13-21-14(24-22-13)15(17,18)19)8-12(10)9-20-23(2)7-3-6-16/h4-5,8-9H,3,6-7H2,1-2H3 | ARCTYKAXCFTJQD-UHFFFAOYSA-N | CN(CCCF)N=CC1=C(C)C=CC(=C1)C1=NOC(=N1)C(F)(F)F | C15H16F4N4O | null | null | 3-(3-{[2-(3-fluoropropyl)-2-methylhydrazin-1-ylidene]methyl}-4-methylphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole | null | null | null |
InChI=1S/C16H18F3N5O5S2/c1-10-9-22(31(28,29)13-4-3-12(30-13)24(26)27)5-6-23(10)14-20-7-11(8-21-14)15(2,25)16(17,18)19/h3-4,7-8,10,25H,5-6,9H2,1-2H3/t10-,15?/m0/s1 | ARDARHKXPWSSNC-MYHCZTBNSA-N | C[C@H]1CN(CCN1C2=NC=C(C=N2)C(C)(C(F)(F)F)O)S(=O)(=O)C3=CC=C(S3)[N+](=O)[O-] | C16H18F3N5O5S2 | CC1CN(CCN1C2=NC=C(C=N2)C(C)(C(F)(F)F)O)S(=O)(=O)C3=CC=C(S3)[N+](=O)[O-] | 1,1,1-trifluoro-2-[2-[(2S)-2-methyl-4-(5-nitrothiophen-2-yl)sulfonylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol | 1,1,1-trifluoro-2-{2-[(2S)-2-methyl-4-[(5-nitrothiophen-2-yl)sulfonyl]piperazin-1-yl]pyrimidin-5-yl}propan-2-ol | {"alternativeParents":["CHEMONTID:0004337","CHEMONTID:0003901","CHEMONTID:0004612","CHEMONTID:0003481","CHEMONTID:0001262","CHEMONTID:0001585","CHEMONTID:0001670","CHEMONTID:0001157","CHEMONTID:0004144","CHEMONTID:0002609","CHEMONTID:0003633","CHEMONTID:0004139","CHEMONTID:0001508","CHEMONTID:0003865","CHEMONTID:000151... | {"ep":1,"jp":1,"us":2,"uy":1} | null |
InChI=1S/C25H46OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-25-23-27-22-24(25)2/h22-23H,3-21H2,1-2H3 | ARDCULJPFZXAED-UHFFFAOYSA-N | CCCCCCCCCCCCCCCCCCCCOC1=CSC=C1C | C25H46OS | CCCCCCCCCCCCCCCCCCCCOC1=CSC=C1C | 3-icosoxy-4-methylthiophene | 3-(icosyloxy)-4-methylthiophene | 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-/m0/s1 | ARDFWLQMEYRLKE-HOTGVXAUSA-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 (3R,4R)-4-cyano-4-[6-(difluoromethoxy)-5-nitropyridin-3-yl]-3-(4-fluorophenyl)butanoate | null | null | null |
InChI=1S/C11H13F/c1-9(2)7-8-10-5-3-4-6-11(10)12/h3-9H,1-2H3/b8-7+ | ARDGXZQSVCPRHC-BQYQJAHWSA-N | CC(C)/C=C/C1=CC=CC=C1F | C11H13F | CC(C)C=CC1=CC=CC=C1F | 1-fluoro-2-[(E)-3-methylbut-1-enyl]benzene | 1-fluoro-2-[(1E)-3-methylbut-1-en-1-yl]benzene | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0001100","CHEMONTID:0001031","CHEMONTID:0001517","CHEMONTID:0004522","CHEMONTID:0004150"],"substituents":["Styrene","Halobenzene","Fluorobenzene","Aryl halide","Aryl fluoride","Hydrofluorocarbon","Hydrocarbon derivative","Organofluoride","Organohalogen compound",... | {"jp":2,"wo":2,"cn":3,"us":4} | null |
InChI=1S/C83H134N28O24/c1-43(2)33-61(81(134)135)109-72(125)54(16-11-31-94-82(89)90)103-76(129)58(35-47-20-24-50(115)25-21-47)106-70(123)53(15-7-10-30-86)102-78(131)60(37-66(119)120)108-80(133)67(45(4)113)111-68(121)44(3)98-79(132)62(41-112)110-73(126)55(17-12-32-95-83(91)92)104-77(130)59(36-48-39-93-42-97-48)107-71(124... | ARDHJMLETMBXTH-ICSNBSSFSA-N | CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CNC(=O)CN)[C@@H](C)O)C(O)=O | C83H134N28O24 | null | null | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]hexanamido]hexanamido]-3-(1H-imidazol-5-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxyp... | null | null | null |
InChI=1S/C19H14Cl2F3N7O2S2/c1-29-18(32)31(28-27-29)13-4-3-5-16(35-19(22,23)24)10(13)9-33-15-7-11(20)14(6-12(15)21)30-8-17(34-2)25-26-30/h3-8H,9H2,1-2H3 | ARDKVPIZLDTHBN-UHFFFAOYSA-N | CSC1=CN(N=N1)C1=CC(Cl)=C(OCC2=C(C=CC=C2SC(F)(F)F)N2N=NN(C)C2=O)C=C1Cl | C19H14Cl2F3N7O2S2 | null | null | 1-[2-({2,5-dichloro-4-[4-(methylsulfanyl)-1H-1,2,3-triazol-1-yl]phenoxy}methyl)-3-[(trifluoromethyl)sulfanyl]phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C16H12Br2N2O2/c17-13-7-19-15(21)11-5-9-3-1-2-4-10(9)6-12(11)16(22)20(19)8-14(13)18/h1-6,13-14H,7-8H2 | ARDKWXVFLQFMHP-UHFFFAOYSA-N | BrC1CN2N(CC1Br)C(=O)C1=CC3=CC=CC=C3C=C1C2=O | C16H12Br2N2O2 | C1C(C(CN2N1C(=O)C3=CC4=CC=CC=C4C=C3C2=O)Br)Br | null | 2,3-dibromo-1,2,3,4,6,13-hexahydro-5,14-diazatetracene-6,13-dione | {"alternativeParents":["CHEMONTID:0000023","CHEMONTID:0000208","CHEMONTID:0004144","CHEMONTID:0000160","CHEMONTID:0004139","CHEMONTID:0000323","CHEMONTID:0000278","CHEMONTID:0001515","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001025"],"directParent":"CHEMONTID:0000209","intermediateNodes":["CHEMONTID:0000207"]... | null | null |
InChI=1S/C24H24N4O5S/c1-15(30-3)8-10-31-20-12-18(22(29)26-24-25-9-11-34-24)13-21(14-20)33-19-6-4-17(5-7-19)23-28-27-16(2)32-23/h4-7,9,11-15H,8,10H2,1-3H3,(H,25,26,29) | ARDLRRVCBPXSPM-UHFFFAOYSA-N | CC1=NN=C(O1)C2=CC=C(C=C2)OC3=CC(=CC(=C3)OCCC(C)OC)C(=O)NC4=NC=CS4 | C24H24N4O5S | CC1=NN=C(O1)C2=CC=C(C=C2)OC3=CC(=CC(=C3)OCCC(C)OC)C(=O)NC4=NC=CS4 | 3-(3-methoxybutoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzamide | 3-(3-methoxybutoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzamide | {"alternativeParents":["CHEMONTID:0002463","CHEMONTID:0000178","CHEMONTID:0000321","CHEMONTID:0002341","CHEMONTID:0004742","CHEMONTID:0000128","CHEMONTID:0004144","CHEMONTID:0002925","CHEMONTID:0000095","CHEMONTID:0001663","CHEMONTID:0001167","CHEMONTID:0004140","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:000394... | {"us":2} | null |
InChI=1S/C24H27N2OP/c1-19(2)23(26(3)24(27)22-16-10-11-17-25-22)18-28(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17,19,23H,18H2,1-3H3/t23-/m1/s1 | ARDLSOPYZSEJEH-HSZRJFAPSA-N | CC(C)[C@@H](CP(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C(=O)C3=CC=CC=N3 | C24H27N2OP | CC(C)C(CP(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C(=O)C3=CC=CC=N3 | N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-N-methylpyridine-2-carboxamide | N-[(2S)-1-(diphenylphosphanyl)-3-methylbutan-2-yl]-N-methylpyridine-2-carboxamide | {"alternativeParents":["CHEMONTID:0004817","CHEMONTID:0002279","CHEMONTID:0001664","CHEMONTID:0004144","CHEMONTID:0000401","CHEMONTID:0004139","CHEMONTID:0000323","CHEMONTID:0000278","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0001326","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecul... | null | null |
InChI=1S/C20H14ClF3N4O3S/c1-27-20(29)28(26-25-27)15-3-2-4-16(32-19(23)24)14(15)10-30-12-7-5-11(6-8-12)13-9-17(22)31-18(13)21/h2-9,19H,10H2,1H3 | ARDQFEAKGPJMQN-UHFFFAOYSA-N | CN1N=NN(C1=O)C1=C(COC2=CC=C(C=C2)C2=C(Cl)OC(F)=C2)C(SC(F)F)=CC=C1 | C20H14ClF3N4O3S | null | null | 1-(2-{[4-(2-chloro-5-fluorofuran-3-yl)phenoxy]methyl}-3-[(difluoromethyl)sulfanyl]phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C17H20N6O3S/c1-4-7-27-10-23-15(13-5-6-21(2)20-13)18-8-11(17(23)26)14(24)12-9-19-22(3)16(12)25/h5-6,8-9,25H,4,7,10H2,1-3H3 | ARDRVFGBGIELRV-UHFFFAOYSA-N | CCCSCN1C(=O)C(=CN=C1C1=NN(C)C=C1)C(=O)C1=C(O)N(C)N=C1 | C17H20N6O3S | null | null | 5-(5-hydroxy-1-methyl-1H-pyrazole-4-carbonyl)-2-(1-methyl-1H-pyrazol-3-yl)-3-[(propylsulfanyl)methyl]-3,4-dihydropyrimidin-4-one | null | null | null |
InChI=1S/C23H34N2O6S/c1-17(2)15-19(16-32-18(3)26)23(28)24-14-8-6-4-5-7-9-22(27)31-21-12-10-20(11-13-21)25(29)30/h10-13,17,19H,4-9,14-16H2,1-3H3,(H,24,28) | ARDSTVFOYIRPOZ-UHFFFAOYSA-N | CC(C)CC(CSC(=O)C)C(=O)NCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] | C23H34N2O6S | CC(C)CC(CSC(=O)C)C(=O)NCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] | (4-nitrophenyl) 8-[[2-(acetylsulfanylmethyl)-4-methylpentanoyl]amino]octanoate | 4-nitrophenyl 8-{2-[(acetylsulfanyl)methyl]-4-methylpentanamido}octanoate | {"alternativeParents":["CHEMONTID:0000036","CHEMONTID:0004742","CHEMONTID:0004612","CHEMONTID:0000324","CHEMONTID:0001096","CHEMONTID:0001200","CHEMONTID:0001663","CHEMONTID:0003872","CHEMONTID:0001238","CHEMONTID:0003260","CHEMONTID:0003633","CHEMONTID:0001508","CHEMONTID:0001137","CHEMONTID:0003940","CHEMONTID:000415... | null | null |
InChI=1S/C73H119N19O23/c1-34(2)28-47(64(106)81-40(11)60(102)92-57(41(12)94)71(113)83-44(22-24-53(74)95)62(104)89-50(31-42-18-14-13-15-19-42)67(109)84-46(72(114)115)21-17-27-78-73(75)76)86-65(107)48(29-35(3)4)87-66(108)49(30-36(5)6)88-69(111)52(33-93)90-70(112)56(37(7)8)91-63(105)45(23-25-54(96)97)82-68(110)51(32-55(98)... | ARDVLUOTIMMSBS-WCZQLPNASA-N | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O | C73H119N19O23 | null | null | (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydr... | null | null | null |
InChI=1S/C20H24Br2O2/c1-18-7-5-12(23)9-16(18)20(22,11-21)10-13-14-3-4-17(24)19(14,2)8-6-15(13)18/h5,7,9,13-15H,3-4,6,8,10-11H2,1-2H3/t13-,14-,15-,18+,19-,20-/m0/s1 | ARDVOMCKEQODOL-FLVPGIQOSA-N | [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@](Br)(CBr)C2=CC(=O)C=C[C@]12C | C20H24Br2O2 | CC12CCC3C(C1CCC2=O)CC(C4=CC(=O)C=CC34C)(CBr)Br | (6R,8R,9S,10R,13S,14S)-6-bromo-6-(bromomethyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione | (3aS,3bR,5R,9aR,9bS,11aS)-5-bromo-5-(bromomethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-dione | {"alternativeparents":["CHEMONTID:0002645","CHEMONTID:0002973","CHEMONTID:0003558","CHEMONTID:0002977","CHEMONTID:0003487","CHEMONTID:0001515","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001025"],"class":"CHEMONTID:0000258","directparent":"CHEMONTID:0001467","intermediatenodes":[],"kingdom":"CHEMONTID:0000000",... | {"ep":1,"us":1} | null |
InChI=1S/C16H12FN3O2/c1-20-8-19-7-13(20)12(6-18)16-21-14-5-9-4-10(17)2-3-11(9)15(14)22-16/h2-4,7-8,14-15H,5H2,1H3 | ARDVOVZDRKESFS-UHFFFAOYSA-N | CN1C=NC=C1C(C#N)=C1OC2CC3=CC(F)=CC=C3C2O1 | C16H12FN3O2 | null | null | 2-{6-fluoro-2H,3aH,8H,8aH-indeno[1,2-d][1,3]dioxol-2-ylidene}-2-(1-methyl-1H-imidazol-5-yl)acetonitrile | null | null | null |
InChI=1S/C23H20F3N7O5/c1-13(2)15-6-5-7-18(32-22(34)30(3)28-29-32)16(15)12-38-19-9-8-14(10-17(19)23(24,25)26)31-20(33(35)36)11-27-21(31)37-4/h5-11H,1,12H2,2-4H3 | ARDXYYQZGCGLJX-UHFFFAOYSA-N | COC1=NC=C(N1C1=CC(=C(OCC2=C(C=CC=C2C(C)=C)N2N=NN(C)C2=O)C=C1)C(F)(F)F)[N](=O)=O | C23H20F3N7O5 | null | null | 1-(2-{[4-(2-methoxy-5-nitro-1H-imidazol-1-yl)-2-(trifluoromethyl)phenoxy]methyl}-3-(prop-1-en-2-yl)phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C21H26N2O9/c1-4-11-5-7-12(8-6-11)9-21(18(28)22(2)20(30)23(3)19(21)29)32-17-16(27)15(26)14(25)13(10-24)31-17/h4-8,13-17,24-27H,1,9-10H2,2-3H3/t13-,14-,15+,16-,17+/m1/s1 | AREHFIRSXUCQAZ-UUAJXVIYSA-N | CN1C(=O)N(C)C(=O)C(CC2=CC=C(C=C)C=C2)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O | C21H26N2O9 | CN1C(=O)N(C)C(=O)C(CC2=CC=C(C=C)C=C2)(OC2OC(CO)C(O)C(O)C2O)C1=O | null | 5-[(4-ethenylphenyl)methyl]-1,3-dimethyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3-diazinane-2,4,6-trione | null | null | null |
InChI=1S/C28H24N2/c1-19-3-7-21(8-4-19)24-15-16-27-26(17-24)14-12-23-11-13-25(18-28(23)30-29-27)22-9-5-20(2)6-10-22/h3-11,13,15-18H,12,14H2,1-2H3/b30-29- | AREHGSJVDDTNTF-FLWNBWAVSA-N | CC1=CC=C(C=C1)C1=CC=C2\N=N/C3=CC(=CC=C3CCC2=C1)C1=CC=C(C)C=C1 | C28H24N2 | CC1=CC=C(C=C1)C1=CC=C2N=NC3=CC(=CC=C3CCC2=C1)C1=CC=C(C)C=C1 | null | (2Z)-6,14-bis(4-methylphenyl)-2,3-diazatricyclo[10.4.0.0⁴,⁹]hexadeca-1(16),2,4,6,8,12,14-heptaene | null | null | null |
InChI=1S/C27H28ClF3N4O4/c1-6-16-9-8-10-21(35-26(36)34(5)32-33-35)18(16)14-38-23-12-20(28)17(11-19(23)27(29,30)31)22-13-24(37-7-2)25(39-22)15(3)4/h8-13,15H,6-7,14H2,1-5H3 | AREIWJMBWFISLP-UHFFFAOYSA-N | CCOC1=C(OC(=C1)C1=CC(=C(OCC2=C(C=CC=C2CC)N2N=NN(C)C2=O)C=C1Cl)C(F)(F)F)C(C)C | C27H28ClF3N4O4 | null | null | 1-[2-({5-chloro-4-[4-ethoxy-5-(propan-2-yl)furan-2-yl]-2-(trifluoromethyl)phenoxy}methyl)-3-ethylphenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C20H21F7N2O6S/c1-10(2)36(32,33)16-13(18(21,19(22,23)24)20(25,26)27)6-5-11(15(16)35-8-7-34-4)14(30)12-9-28-29(3)17(12)31/h5-6,9-10,31H,7-8H2,1-4H3 | AREJFEZADITNPC-UHFFFAOYSA-N | COCCOC1=C(C=CC(=C1[S](=O)(=O)C(C)C)C(F)(C(F)(F)F)C(F)(F)F)C(=O)C1=C(O)N(C)N=C1 | C20H21F7N2O6S | null | null | 4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2-methoxyethoxy)-3-(propane-2-sulfonyl)benzoyl]-1-methyl-1H-pyrazol-5-ol | null | null | null |
InChI=1S/C22H26NO3P/c1-5-25-27(24,26-6-2)22-16-18(20-9-7-8-10-21(20)22)15-17-11-13-19(14-12-17)23(3)4/h7-16H,5-6H2,1-4H3/b18-15+ | ARENNLOHNIJQOH-OBGWFSINSA-N | CCO[P](=O)(OCC)C1=C\C(=C/C2=CC=C(C=C2)N(C)C)C2=CC=CC=C12 | C22H26NO3P | null | null | diethyl [(1E)-1-{[4-(dimethylamino)phenyl]methylidene}-1H-inden-3-yl]phosphonate | null | null | null |
InChI=1S/C22H24N4O4S/c1-24(2)14-20(27)23-17-8-4-6-15(12-17)19-13-16-7-5-9-18-21(16)25(19)10-11-26(22(18)28)31(3,29)30/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,27) | AREOMHHSSZQNJM-UHFFFAOYSA-N | CN(C)CC(=O)NC1=CC=CC(=C1)C1=CC2=CC=CC3=C2N1CCN(C3=O)[S](C)(=O)=O | C22H24N4O4S | null | null | 2-(dimethylamino)-N-(3-{10-methanesulfonyl-9-oxo-1,10-diazatricyclo[6.4.1.0⁴,¹³]trideca-2,4,6,8(13)-tetraen-2-yl}phenyl)acetamide | null | null | null |
InChI=1S/C19H14ClF3N2O3/c20-15-3-1-2-12(18(15)22)13(5-17(26)28-11-8-27-9-11)14(6-24)10-4-16(21)19(23)25-7-10/h1-4,7,11,13-14H,5,8-9H2/t13-,14-/m1/s1 | AREOOTTZXCQWEL-ZIAGYGMSSA-N | FC1=CC(=CN=C1F)[C@@H](C#N)[C@H](CC(=O)OC1COC1)C1=C(F)C(Cl)=CC=C1 | C19H14ClF3N2O3 | null | null | oxetan-3-yl (3S,4S)-3-(3-chloro-2-fluorophenyl)-4-cyano-4-(5,6-difluoropyridin-3-yl)butanoate | null | null | null |
InChI=1S/C26H21F4NOS2/c1-32-23-12-5-4-11-22(23)31-24(34-19-15-17-7-2-3-8-18(17)16-19)13-14-33-25-20(26(28,29)30)9-6-10-21(25)27/h2-14,19H,15-16H2,1H3/b14-13+,31-24? | AREOZOGWJSOMJA-XSNOJPCHSA-N | COC1=C(C=CC=C1)N=C(SC1CC2=CC=CC=C2C1)\C=C\SC1=C(C=CC=C1F)C(F)(F)F | C26H21F4NOS2 | null | null | (2E)-1-(2,3-dihydro-1H-inden-2-ylsulfanyl)-3-{[2-fluoro-6-(trifluoromethyl)phenyl]sulfanyl}-N-(2-methoxyphenyl)prop-2-en-1-imine | null | null | null |
InChI=1S/C26H25N11O3/c1-16(38)29-18-5-6-22-20(15-18)30-25(40-22)17-7-9-27-21(14-17)26(39)37-12-10-36(11-13-37)23(19-4-3-8-28-31-19)24-32-34-35(2)33-24/h3-9,14-15,23H,10-13H2,1-2H3,(H,29,38) | ARESBPHXOUZJDS-UHFFFAOYSA-N | CC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=NC=C3)C(=O)N4CCN(CC4)C(C5=NN=CC=C5)C6=NN(N=N6)C | C26H25N11O3 | CC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=NC=C3)C(=O)N4CCN(CC4)C(C5=NN=CC=C5)C6=NN(N=N6)C | N-[2-[2-[4-[(2-methyltetrazol-5-yl)-pyridazin-3-ylmethyl]piperazine-1-carbonyl]pyridin-4-yl]-1,3-benzoxazol-5-yl]acetamide | N-[2-(2-{4-[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)(pyridazin-3-yl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide | null | null | null |
InChI=1S/C21H15Cl2N7O2/c1-4-11-8-13-18(27-10(2)26-13)16(21(32)24-3)17(11)28-20(31)14-9-15(23)29-30(14)19-12(22)6-5-7-25-19/h1,5-9H,2-3H3,(H,24,32)(H,26,27)(H,28,31) | ARETWHALLUUMJD-UHFFFAOYSA-N | CNC(=O)C1=C2NC(C)=NC2=CC(C#C)=C1NC(=O)C1=CC(Cl)=NN1C1=C(Cl)C=CC=N1 | C21H15Cl2N7O2 | null | null | 6-[3-chloro-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-amido]-5-ethynyl-N,2-dimethyl-1H-1,3-benzodiazole-7-carboxamide | null | null | null |
InChI=1S/C36H20N4OS/c1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)25-15-16-29-27(18-25)31-32-28(20-37-36(31)41-29)26-17-23-13-7-8-14-24(23)19-30(26)42-32/h1-20H/i15D,16D,18D | AREVKGIDOCSERA-WHOLUSDQSA-N | [2H]C1=C2OC3=C(C4=C(C=N3)C3=CC5=CC=CC=C5C=C3S4)C2=C([2H])C(=C1[2H])C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1 | C36H20N4OS | [2H]C1=C2OC3=C(C4=C(C=N3)C3=CC5=CC=CC=C5C=C3S4)C2=C([2H])C(=C1[2H])C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1 | null | 5-(4,6-diphenyl-1,3,5-triazin-2-yl)(4,6,7-²H₃)-9-oxa-24-thia-11-azahexacyclo[11.11.0.0²,¹⁰.0³,⁸.0¹⁴,²³.0¹⁶,²¹]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene | null | null | null |
InChI=1S/C32H38F2N6O/c1-22-23-8-7-9-25(18-23)32(33,34)24-10-15-40(16-11-24)14-5-3-2-4-6-17-41-30-27(31(20-35)12-13-31)19-26-28(38-22)36-21-37-29(26)39-30/h7-9,18-19,21-22,24H,2-6,10-17H2,1H3,(H,36,37,38,39)/t22-/m1/s1 | AREVQBLXUNERGN-JOCHJYFZSA-N | C[C@@H]1C2=CC(=CC=C2)C(C3CCN(CCCCCCCOC4=C(C=C5C(=NC=NC5=N4)N1)C6(CC6)C#N)CC3)(F)F | C32H38F2N6O | CC1C2=CC(=CC=C2)C(C3CCN(CCCCCCCOC4=C(C=C5C(=NC=NC5=N4)N1)C6(CC6)C#N)CC3)(F)F | 1-[(8R)-2,2-difluoro-8-methyl-19-oxa-9,11,13,27,32-pentazapentacyclo[25.2.2.13,7.114,18.010,15]tritriaconta-3,5,7(33),10,12,14(32),15,17-octaen-17-yl]cyclopropane-1-carbonitrile | 1-[(8R,9Z)-2,2-difluoro-8-methyl-19-oxa-9,11,13,27,32-pentaazapentacyclo[25.2.2.1³,⁷.1¹⁴,¹⁸.0¹⁰,¹⁵]tritriaconta-3(33),4,6,9,11,13,15,17-octaen-17-yl]cyclopropane-1-carbonitrile | null | null | null |
InChI=1S/C19H16F3N3O4/c20-19(21,22)29-12-3-1-11(2-4-12)5-7-24-10-15(26)16-13-6-8-25(28)18(27)17(13)23-9-14(16)24/h1-4,9-10,26,28H,5-8H2 | AREWCZFRWLMAPJ-UHFFFAOYSA-N | ON1CCC2=C(N=CC3=C2C(O)=CN3CCC2=CC=C(OC(F)(F)F)C=C2)C1=O | C19H16F3N3O4 | null | null | 1,7-dihydroxy-3-{2-[4-(trifluoromethoxy)phenyl]ethyl}-3H,6H,7H,8H,9H-pyrrolo[2,3-c]1,7-naphthyridin-6-one | null | null | null |
InChI=1S/C28H27FN4O4/c1-6-23(34)30-18-8-9-22(31-26-15(3)10-17(29)11-16(26)4)19(12-18)21-14-33(5)28(36)20-13-25(37-27(20)21)32-24(35)7-2/h6,8-14,31H,1,7H2,2-5H3,(H,30,34)(H,32,35) | AREYWRGWOWGNPH-UHFFFAOYSA-N | CCC(=O)NC1=CC2=C(O1)C(=CN(C)C2=O)C1=C(NC2=C(C)C=C(F)C=C2C)C=CC(NC(=O)C=C)=C1 | C28H27FN4O4 | CCC(=O)NC1=CC2=C(O1)C(=CN(C2=O)C)C3=C(C=CC(=C3)NC(=O)C=C)NC4=C(C=C(C=C4C)F)C | N-[7-[2-(4-fluoro-2,6-dimethylanilino)-5-(prop-2-enoylamino)phenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-2-yl]propanamide | N-{4-[(4-fluoro-2,6-dimethylphenyl)amino]-3-{5-methyl-4-oxo-2-propanamido-4H,5H-furo[3,2-c]pyridin-7-yl}phenyl}prop-2-enamide | null | null | null |
InChI=1S/C85H134N26O16S3/c1-6-48(4)70(110-81(124)67(45-129)109-77(120)61(28-34-130-5)102-80(123)66(44-128)108-76(119)60(26-17-32-94-85(91)92)101-72(115)54(89)35-47(2)3)83(126)103-59(25-13-16-31-88)75(118)104-62(36-49-39-95-55-21-9-7-19-52(49)55)78(121)105-63(37-50-40-96-56-22-10-8-20-53(50)56)79(122)107-65(43-112)73(11... | ARFBSBSJMXSUAM-JUBHQGHYSA-N | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O | C85H134N26O16S3 | null | null | (2S)-6-amino-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-5-amino-1-{[(2R)-1-[(2S)-2-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-[(2S,3S)-2-[(2... | null | null | null |
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