 | | JR0 | | Name: | N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide | | Formula: | C34 H39 N7 O5 | | SMILES: | O=C(C1CCN(CC1)c1nc(C)cc(n1)C(=O)NCc1ccccc1)N1CCN(CC1)C(=O)c1cc2c(OC)c(OC)ccc2[NH]1 | | InChi: | InChI=1S/C34H39N7O5/c1-22-19-27(31(42)35-21-23-7-5-4-6-8-23)38-34(36-22)41-13-11-24(12-14-41)32(43)39-15-17-40(18-16-39)33(44)28-20-25-26(37-28)9-10-29(45-2)30(25)46-3/h4-10,19-20,24,37H,11-18,21H2,1-3H3,(H,35,42) | | Definition date: | 2023-08-08 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide |
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 | | JS9 | | Name: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide | | Formula: | C31 H35 N5 O4 | | SMILES: | COCC1(CC1)CN(C)C(=O)c1ccc(cc1)CCn1cc(nn1)c1ccc(nc1)c1cc(OC)ccc1OC | | InChi: | InChI=1S/C31H35N5O4/c1-35(20-31(14-15-31)21-38-2)30(37)23-7-5-22(6-8-23)13-16-36-19-28(33-34-36)24-9-11-27(32-18-24)26-17-25(39-3)10-12-29(26)40-4/h5-12,17-19H,13-16,20-21H2,1-4H3 | | Definition date: | 2023-08-09 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide |
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 | | TN0 | | Name: | (2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one | | Formula: | C17 H14 N2 O3 S | | SMILES: | COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3ccccc3 | | InChi: | InChI=1S/C17H14N2O3S/c1-22-14-8-7-11(9-13(14)20)10-15-16(21)19-17(23-15)18-12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)/b15-10- | | Definition date: | 2023-01-12 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one |
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 | | TNO | | Name: | (5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione | | Formula: | C11 H9 N O4 S | | SMILES: | COc1cc(ccc1O)C=C2SC(=O)NC2=O | | InChi: | InChI=1S/C11H9NO4S/c1-16-8-4-6(2-3-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5- | | Definition date: | 2023-01-12 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione |
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 | | TO6 | | Name: | 5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile | | Formula: | C14 H11 N5 O2 | | SMILES: | COc1cc(ccc1O)C=C(C#N)c2[nH]nc(N)c2C#N | | InChi: | InChI=1S/C14H11N5O2/c1-21-12-5-8(2-3-11(12)20)4-9(6-15)13-10(7-16)14(17)19-18-13/h2-5,20H,1H3,(H3,17,18,19)/b9-4+ | | Definition date: | 2023-01-12 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 3-azanyl-5-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1~{H}-pyrazole-4-carbonitrile |
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 | | WRC | | Name: | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide | | Formula: | C20 H21 F3 N2 O3 | | SMILES: | Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CC(C)(C)C)C(=O)NO | | InChi: | InChI=1S/C20H21F3N2O3/c1-20(2,3)10-16(26)24-18(19(27)25-28)12-6-4-11(5-7-12)13-8-14(21)17(23)15(22)9-13/h4-9,18,28H,10H2,1-3H3,(H,24,26)(H,25,27)/t18-/m1/s1 | | Definition date: | 2023-05-17 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide |
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 | | GV3 | | Name: | 5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine | | Formula: | C20 H26 N8 O3 S | | SMILES: | N=C(Nc1ccccc1)NCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C20H26N8O3S/c21-17-14-18(25-10-24-17)28(11-26-14)19-16(30)15(29)13(31-19)9-32-8-4-7-23-20(22)27-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,29-30H,4,7-9H2,(H2,21,24,25)(H3,22,23,27)/t13-,15-,16-,19-/m1/s1 | | Definition date: | 2023-05-01 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine |
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 | | GWU | | Name: | 5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine | | Formula: | C23 H33 N9 O4 | | SMILES: | NCCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C23H33N9O4/c24-7-4-9-31(10-8-26-23(35)27-11-15-5-2-1-3-6-15)12-16-18(33)19(34)22(36-16)32-14-30-17-20(25)28-13-29-21(17)32/h1-3,5-6,13-14,16,18-19,22,33-34H,4,7-12,24H2,(H2,25,28,29)(H2,26,27,35)/t16-,18-,19-,22-/m1/s1 | | Definition date: | 2023-05-01 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine |
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 | | A1AAR | | Name: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide | | Formula: | C20 H24 N4 O3 | | SMILES: | CC1CCC(c2ccc(O)cc2)N(C1)C(=O)C(=O)Nc1cc(C)c(N)nc1 | | InChi: | InChI=1S/C20H24N4O3/c1-12-3-8-17(14-4-6-16(25)7-5-14)24(11-12)20(27)19(26)23-15-9-13(2)18(21)22-10-15/h4-7,9-10,12,17,25H,3,8,11H2,1-2H3,(H2,21,22)(H,23,26)/t12-,17+/m0/s1 | | Definition date: | 2023-12-30 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide |
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 | | A1AAU | | Name: | 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide | | Formula: | C20 H22 N4 O3 | | SMILES: | CC1CCC(c2ccccc2)N(C1)C(=O)C(=O)Nc1cc(cnc1)C(N)=O | | InChi: | InChI=1S/C20H22N4O3/c1-13-7-8-17(14-5-3-2-4-6-14)24(12-13)20(27)19(26)23-16-9-15(18(21)25)10-22-11-16/h2-6,9-11,13,17H,7-8,12H2,1H3,(H2,21,25)(H,23,26)/t13-,17+/m0/s1 | | Definition date: | 2023-12-31 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide |
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 | | A1AAV | | Name: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide | | Formula: | C21 H23 N5 O2 S | | SMILES: | Cc1cc(cnc1N)NC(=O)C(=O)N1CC(C)CCC1c1cc2ncsc2cc1 | | InChi: | InChI=1S/C21H23N5O2S/c1-12-3-5-17(14-4-6-18-16(8-14)24-11-29-18)26(10-12)21(28)20(27)25-15-7-13(2)19(22)23-9-15/h4,6-9,11-12,17H,3,5,10H2,1-2H3,(H2,22,23)(H,25,27)/t12-,17+/m0/s1 | | Synonyms: | TNG908 | | Definition date: | 2023-12-31 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide |
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 | | A1AAX | | Name: | 3,3',3''-({(4R)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1,4-dihydropyridin-4-yl}-lambda~5~-phosphanetriyl)tripropanoic acid | | Formula: | C30 H45 N7 O23 P4 | | SMILES: | O=C(O)CCP(CCC(=O)O)(CCC(=O)O)C1C=CN(C=C1C(N)=O)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(OP(=O)(O)O)C2O)C(O)C1O | | InChi: | InChI=1S/C30H45N7O23P4/c31-26-21-28(34-12-33-26)37(13-35-21)30-25(59-62(48,49)50)23(45)16(58-30)11-56-64(53,54)60-63(51,52)55-10-15-22(44)24(46)29(57-15)36-5-1-17(14(9-36)27(32)47)61(6-2-18(38)39,7-3-19(40)41)8-4-20(42)43/h1,5,9,12-13,15-17,22-25,29-30,44-46,61H,2-4,6-8,10-11H2,(H2,32,47)(H,38,39)(H,40,41)(H,42,43)(H,51,52)(H,53,54)(H2,31,33,34)(H2,48,49,50)/t15-,16-,17-,22-,23-,24-,25-,29-,30-/m1/s1 | | Definition date: | 2024-01-02 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 3,3',3''-({(4R)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1,4-dihydropyridin-4-yl}-lambda~5~-phosphanetriyl)tripropanoic acid (non-preferred name) |
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 | | A1AC8 | | Name: | (3R)-1-benzylpiperidin-3-yl methyl (2R,3R,4R,5R,6S)-2,6-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate | | Formula: | C28 H32 N3 O6 | | SMILES: | O=[N+](O)c1cccc(c1)C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC1CCCN(Cc2ccccc2)C1 | | InChi: | InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26H,8,13-14,16-17H2,1-3H3,(H-,29,32,33,34,35)/p+1/t23-,26-/m1/s1 | | Definition date: | 2024-01-18 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | {3-[(4R)-3-({[(3R)-1-benzylpiperidin-3-yl]oxy}carbonyl)-5-(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl}(hydroxy)oxoammonium |
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 | | A1AC9 | | Name: | 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman | | Formula: | C38 H40 N2 O6 | | SMILES: | COc1c(OC)cc2C=CN(C)C3Cc4ccc(OC)c(c4)Oc4ccc(cc4)CC4c5cc(Oc1c32)c(OC)cc5CCN4C | | InChi: | InChI=1S/C38H40N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,14,16,19-22,29-30H,13,15,17-18H2,1-6H3/t29-,30?/m0/s1 | | Definition date: | 2024-01-18 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman |
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 | | A1AHF | | Name: | N-[(2S)-3-oxo-1-(beta-L-talopyranosyloxy)octadecan-2-yl]docosanamide | | Formula: | C46 H89 N O8 | | SMILES: | CCCCCCCCCCCCCCCC(=O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C46H89NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h39,41,43-46,48,51-53H,3-38H2,1-2H3,(H,47,50)/t39-,41-,43+,44+,45+,46-/m0/s1 | | Definition date: | 2024-03-07 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-[(2S)-3-oxo-1-(beta-L-talopyranosyloxy)octadecan-2-yl]docosanamide |
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 | | A1AHJ | | Name: | 3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide | | Formula: | C19 H26 Cl2 N2 O | | SMILES: | Clc1cc(cc(Cl)c1)C(=O)NCC1C2CN(CCC(C)(C)C)CC21 | | InChi: | InChI=1S/C19H26Cl2N2O/c1-19(2,3)4-5-23-10-16-15(17(16)11-23)9-22-18(24)12-6-13(20)8-14(21)7-12/h6-8,15-17H,4-5,9-11H2,1-3H3,(H,22,24)/t15-,16-,17+ | | Definition date: | 2024-03-08 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide |
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 | | A1AM8 | | Name: | methyl 3-aminopyridine-4-carboxylate | | Formula: | C7 H8 N2 O2 | | SMILES: | Nc1cnccc1C(=O)OC | | InChi: | InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,8H2,1H3 | | Definition date: | 2024-04-15 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | methyl 3-aminopyridine-4-carboxylate |
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 | | A1AM9 | | Name: | (3R)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one | | Formula: | C11 H12 F N O2 | | SMILES: | CN1CCC(Oc2cc(F)ccc2)C1=O | | InChi: | InChI=1S/C11H12FNO2/c1-13-6-5-10(11(13)14)15-9-4-2-3-8(12)7-9/h2-4,7,10H,5-6H2,1H3/t10-/m1/s1 | | Definition date: | 2024-04-15 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (3R)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one |
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 | | A1AMY | | Name: | N-[(2-fluorophenyl)methyl]oxan-4-amine | | Formula: | C12 H16 F N O | | SMILES: | Fc1ccccc1CNC1CCOCC1 | | InChi: | InChI=1S/C12H16FNO/c13-12-4-2-1-3-10(12)9-14-11-5-7-15-8-6-11/h1-4,11,14H,5-9H2 | | Definition date: | 2024-04-15 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-[(2-fluorophenyl)methyl]oxan-4-amine |
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 | | A1AMZ | | Name: | (4R)-imidazo[1,2-b]pyridazine-3-sulfonamide | | Formula: | C6 H6 N4 O2 S | | SMILES: | NS(=O)(=O)c1cnc2cccnn12 | | InChi: | InChI=1S/C6H6N4O2S/c7-13(11,12)6-4-8-5-2-1-3-9-10(5)6/h1-4H,(H2,7,11,12) | | Definition date: | 2024-04-15 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (4R)-imidazo[1,2-b]pyridazine-3-sulfonamide |
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 | | A1ANA | | Name: | 4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide | | Formula: | C9 H14 N4 O | | SMILES: | Nc1cn(C)nc1C(=O)NC1CCC1 | | InChi: | InChI=1S/C9H14N4O/c1-13-5-7(10)8(12-13)9(14)11-6-3-2-4-6/h5-6H,2-4,10H2,1H3,(H,11,14) | | Definition date: | 2024-04-15 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide |
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 | | A1ANB | | Name: | 2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide | | Formula: | C11 H15 N O2 | | SMILES: | O=C(Nc1c(C)cc(C)cc1C)CO | | InChi: | InChI=1S/C11H15NO2/c1-7-4-8(2)11(9(3)5-7)12-10(14)6-13/h4-5,13H,6H2,1-3H3,(H,12,14) | | Definition date: | 2024-04-15 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide |
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 | | A1ANE | | Name: | 5-phenyl-1,3,4-oxadiazol-2-ol | | Formula: | C8 H6 N2 O2 | | SMILES: | Oc1nnc(o1)c1ccccc1 | | InChi: | InChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11) | | Definition date: | 2024-04-15 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 5-phenyl-1,3,4-oxadiazol-2-ol |
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 | | A1ANF | | Name: | 1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one | | Formula: | C12 H14 Cl N O | | SMILES: | O=C(CN1CCCC1)c1ccccc1Cl | | InChi: | InChI=1S/C12H14ClNO/c13-11-6-2-1-5-10(11)12(15)9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2 | | Definition date: | 2024-04-15 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one |
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 | | A1D64 | | Name: | (2~{R})-3-(4-aminophenyl)sulfanyl-2-azanyl-propanoic acid | | Formula: | C9 H12 N2 O2 S | | SMILES: | N[CH](CSc1ccc(N)cc1)C(O)=O | | InChi: | InChI=1S/C9H12N2O2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1 | | Synonyms: | S-(4-aminophenyl)cysteine | | Definition date: | 2024-03-27 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (2~{R})-3-(4-aminophenyl)sulfanyl-2-azanyl-propanoic acid |
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