 | | WLI | | Name: | 4,4'-[(1S,3aR,4S,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxyphenol) | | Formula: | C22 H26 O8 | | SMILES: | COc1cc(cc(OC)c1O)C1OCC2C1COC2c1cc(OC)c(O)c(OC)c1 | | InChi: | InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14+,21-,22-/m1/s1 | | Definition date: | 2023-10-06 | | Last modified: | 2025-02-24 | | Release date: | 2025-02-24 | | Identifier: | 4,4'-[(1S,3aR,4S,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxyphenol) |
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 | | XI9 | | Name: | (3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole | | Formula: | C8 H8 N6 | | SMILES: | [NH]1nc(c2nnn[NH]2)c2CC3CC3c12 | | InChi: | InChI=1S/C8H8N6/c1-3-2-5-6(4(1)3)9-10-7(5)8-11-13-14-12-8/h3-4H,1-2H2,(H,9,10)(H,11,12,13,14)/t3-,4-/m1/s1 | | Definition date: | 2023-11-02 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole |
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 | | ZRN | | Name: | (2R,3S)-3-[(2S)-2-amino-4,4-diethyl-6-oxo-1,3-diazinan-1-yl]-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide | | Formula: | C29 H36 N4 O5 | | SMILES: | OC1Cc2ccccc2C1NC(=O)c1cc2c(cc1)OC(C)(COC)C2N1C(=N)NC(CC)(CC)CC1=O | | InChi: | InChI=1S/C29H36N4O5/c1-5-29(6-2)15-23(35)33(27(30)32-29)25-20-13-18(11-12-22(20)38-28(25,3)16-37-4)26(36)31-24-19-10-8-7-9-17(19)14-21(24)34/h7-13,21,24-25,34H,5-6,14-16H2,1-4H3,(H2,30,32)(H,31,36)/t21-,24-,25+,28+/m1/s1 | | Definition date: | 2023-03-24 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (2R,3S)-3-[(2Z)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide |
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 | | V55 | | Name: | 4-hydroxy-3-methoxybenzaldehyde | | Formula: | C8 H8 O3 | | SMILES: | O=Cc1cc(OC)c(O)cc1 | | InChi: | InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 | | Synonyms: | p-vanillin | | Definition date: | 2008-04-29 | | Last modified: | 2025-02-21 | | Identifier: | 4-hydroxy-3-methoxybenzaldehyde |
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 | | YFU | | Name: | 1-ethyl-8-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)carbonyl]-4-[2-oxidanylidene-2-[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2,3-dihydro-1,4-benzodiazepin-5-one | | Formula: | C32 H40 N4 O4 | | SMILES: | CCN1CCN(CC(=O)[CH]2Cc3ccccc3CN2)C(=O)c4ccc(cc14)C(=O)N5CCC6(CC5)CC(C6)OC | | InChi: | InChI=1S/C32H40N4O4/c1-3-34-14-15-36(21-29(37)27-16-22-6-4-5-7-24(22)20-33-27)31(39)26-9-8-23(17-28(26)34)30(38)35-12-10-32(11-13-35)18-25(19-32)40-2/h4-9,17,25,27,33H,3,10-16,18-21H2,1-2H3/t27-/m0/s1 | | Definition date: | 2023-11-30 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | 1-ethyl-8-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)carbonyl]-4-[2-oxidanylidene-2-[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2,3-dihydro-1,4-benzodiazepin-5-one |
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 | | XOT | | Name: | (4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid | | Formula: | C8 H8 N2 O2 | | SMILES: | O=C(O)c1n[NH]c2C3CC3Cc21 | | InChi: | InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1 | | Synonyms: | MK 1903 | | Definition date: | 2023-11-06 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid |
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 | | A1BG8 | | Name: | N-(1-methyl-1H-pyrazol-4-yl)-2-(2-methylpyrimidin-5-yl)benzamide | | Formula: | C16 H15 N5 O | | SMILES: | O=C(Nc1cn(C)nc1)c1ccccc1c1cnc(C)nc1 | | InChi: | InChI=1S/C16H15N5O/c1-11-17-7-12(8-18-11)14-5-3-4-6-15(14)16(22)20-13-9-19-21(2)10-13/h3-10H,1-2H3,(H,20,22) | | Definition date: | 2024-11-11 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | N-(1-methyl-1H-pyrazol-4-yl)-2-(2-methylpyrimidin-5-yl)benzamide |
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 | | A1BG9 | | Name: | 4-methyl-2-[(3S)-piperidin-3-yl]-N-(pyridin-2-yl)-1H-imidazole-5-carboxamide | | Formula: | C15 H19 N5 O | | SMILES: | Cc1nc([NH]c1C(=O)Nc1ccccn1)C1CCCNC1 | | InChi: | InChI=1S/C15H19N5O/c1-10-13(15(21)19-12-6-2-3-8-17-12)20-14(18-10)11-5-4-7-16-9-11/h2-3,6,8,11,16H,4-5,7,9H2,1H3,(H,18,20)(H,17,19,21)/t11-/m0/s1 | | Definition date: | 2024-11-11 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | 4-methyl-2-[(3S)-piperidin-3-yl]-N-(pyridin-2-yl)-1H-imidazole-5-carboxamide |
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 | | A1BGQ | | Name: | N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide | | Formula: | C22 H27 N3 O2 | | SMILES: | O=C(C(Cc1ccc(CN)cc1)NC(=O)c1ccccc1)N1CCCCC1 | | InChi: | InChI=1S/C22H27N3O2/c23-16-18-11-9-17(10-12-18)15-20(22(27)25-13-5-2-6-14-25)24-21(26)19-7-3-1-4-8-19/h1,3-4,7-12,20H,2,5-6,13-16,23H2,(H,24,26)/t20-/m0/s1 | | Definition date: | 2024-11-11 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide |
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 | | A1BGR | | Name: | N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide | | Formula: | C16 H18 Cl N3 O5 | | SMILES: | O=C(Nc1cc(cc(Cl)c1)C(=O)NC(C)(C)CO)C1=CC(=O)N(C)O1 | | InChi: | InChI=1S/C16H18ClN3O5/c1-16(2,8-21)19-14(23)9-4-10(17)6-11(5-9)18-15(24)12-7-13(22)20(3)25-12/h4-7,21H,8H2,1-3H3,(H,18,24)(H,19,23) | | Definition date: | 2024-11-11 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide |
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 | | A1BGU | | Name: | N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide | | Formula: | C15 H18 N6 O | | SMILES: | O=C(Nc1cn(C)nc1)c1ccc2nc(NC(C)C)[NH]c2c1 | | InChi: | InChI=1S/C15H18N6O/c1-9(2)17-15-19-12-5-4-10(6-13(12)20-15)14(22)18-11-7-16-21(3)8-11/h4-9H,1-3H3,(H,18,22)(H2,17,19,20) | | Definition date: | 2024-11-11 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide |
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 | | A1BGV | | Name: | N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide | | Formula: | C16 H18 N6 O2 | | SMILES: | NC(=O)c1cc(c[NH]1)NC(=O)c1ccc2nc(NC(C)C)[NH]c2c1 | | InChi: | InChI=1S/C16H18N6O2/c1-8(2)19-16-21-11-4-3-9(5-12(11)22-16)15(24)20-10-6-13(14(17)23)18-7-10/h3-8,18H,1-2H3,(H2,17,23)(H,20,24)(H2,19,21,22) | | Definition date: | 2024-11-11 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide |
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 | | A1BGY | | Name: | 5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide | | Formula: | C16 H19 N3 O | | SMILES: | O=C(Nc1ccncc1C)c1cc(C2CC2)n(C)c1C | | InChi: | InChI=1S/C16H19N3O/c1-10-9-17-7-6-14(10)18-16(20)13-8-15(12-4-5-12)19(3)11(13)2/h6-9,12H,4-5H2,1-3H3,(H,17,18,20) | | Definition date: | 2024-11-11 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | 5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide |
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 | | A1BGZ | | Name: | (2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide | | Formula: | C18 H18 N4 O2 | | SMILES: | O=C(Nc1cn(C)nc1)c1ccccc1c1ccnc(COC)c1 | | InChi: | InChI=1S/C18H18N4O2/c1-22-11-15(10-20-22)21-18(23)17-6-4-3-5-16(17)13-7-8-19-14(9-13)12-24-2/h3-11H,12H2,1-2H3,(H,21,23) | | Definition date: | 2024-11-11 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide |
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 | | A1BHA | | Name: | 4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine | | Formula: | C14 H18 N6 O2 | | SMILES: | COc1nc(nc(COc2cncnc2)c1)N1CCNCC1 | | InChi: | InChI=1S/C14H18N6O2/c1-21-13-6-11(9-22-12-7-16-10-17-8-12)18-14(19-13)20-4-2-15-3-5-20/h6-8,10,15H,2-5,9H2,1H3 | | Definition date: | 2024-11-11 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | 4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine |
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 | | A1BHC | | Name: | 3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide | | Formula: | C21 H28 Cl N3 O3 | | SMILES: | Clc1cc(cc(NCc2ccc(O)c(CN(C)C)c2)c1)C(=O)NC(C)(C)CO | | InChi: | InChI=1S/C21H28ClN3O3/c1-21(2,13-26)24-20(28)15-8-17(22)10-18(9-15)23-11-14-5-6-19(27)16(7-14)12-25(3)4/h5-10,23,26-27H,11-13H2,1-4H3,(H,24,28) | | Definition date: | 2024-11-11 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | 3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide |
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 | | A1BIV | | Name: | 6-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione | | Formula: | C22 H17 Cl N4 O3 | | SMILES: | Clc1ccc(cc1)c1[NH]c2c(C(=O)NC(=O)N2C)c1C1c2ccccc2N(C)C1=O | | InChi: | InChI=1S/C22H17ClN4O3/c1-26-14-6-4-3-5-13(14)15(21(26)29)16-17-19(27(2)22(30)25-20(17)28)24-18(16)11-7-9-12(23)10-8-11/h3-10,15,24H,1-2H3,(H,25,28,30)/t15-/m0/s1 | | Definition date: | 2024-12-02 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | 6-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
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 | | A1BIW | | Name: | N-[(5R)-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepin-5-yl]-2-hydroxyquinoxaline-6-carboxamide | | Formula: | C19 H17 N3 O4 S | | SMILES: | Oc1cnc2cc(ccc2n1)C(=O)NC1CCCS(=O)(=O)c2ccccc21 | | InChi: | InChI=1S/C19H17N3O4S/c23-18-11-20-16-10-12(7-8-15(16)21-18)19(24)22-14-5-3-9-27(25,26)17-6-2-1-4-13(14)17/h1-2,4,6-8,10-11,14H,3,5,9H2,(H,21,23)(H,22,24)/t14-/m1/s1 | | Definition date: | 2024-12-02 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | N-[(5R)-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepin-5-yl]-2-hydroxyquinoxaline-6-carboxamide |
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 | | A1BIX | | Name: | (4S)-4-(3-ethoxyphenyl)-3-methyl-1-[(4R)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one | | Formula: | C20 H19 N7 O2 | | SMILES: | CCOc1cccc(c1)C1CC(=O)Nc2c1c(C)nn2c1ccc2nncn2n1 | | InChi: | InChI=1S/C20H19N7O2/c1-3-29-14-6-4-5-13(9-14)15-10-18(28)22-20-19(15)12(2)24-27(20)17-8-7-16-23-21-11-26(16)25-17/h4-9,11,15H,3,10H2,1-2H3,(H,22,28)/t15-/m0/s1 | | Definition date: | 2024-12-02 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (4S)-4-(3-ethoxyphenyl)-3-methyl-1-[(4R)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
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 | | A1BLQ | | Name: | (2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-5,6,7,8-tetrahydrophthalazin-1-yl)-5-(trifluoromethyl)phenol | | Formula: | C21 H25 F3 N4 O | | SMILES: | CN1CCCC(Nc2nnc(c3ccc(cc3O)C(F)(F)F)c3CCCCc23)C1 | | InChi: | InChI=1S/C21H25F3N4O/c1-28-10-4-5-14(12-28)25-20-16-7-3-2-6-15(16)19(26-27-20)17-9-8-13(11-18(17)29)21(22,23)24/h8-9,11,14,29H,2-7,10,12H2,1H3,(H,25,27)/t14-/m1/s1 | | Definition date: | 2024-12-16 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-5,6,7,8-tetrahydrophthalazin-1-yl)-5-(trifluoromethyl)phenol |
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 | | A1BLR | | Name: | (2M)-2-(6-{[(3R)-1-methylpiperidin-3-yl]amino}pyridazin-3-yl)-5-(trifluoromethyl)phenol | | Formula: | C17 H19 F3 N4 O | | SMILES: | CN1CCCC(Nc2ccc(nn2)c2ccc(cc2O)C(F)(F)F)C1 | | InChi: | InChI=1S/C17H19F3N4O/c1-24-8-2-3-12(10-24)21-16-7-6-14(22-23-16)13-5-4-11(9-15(13)25)17(18,19)20/h4-7,9,12,25H,2-3,8,10H2,1H3,(H,21,23)/t12-/m1/s1 | | Definition date: | 2024-12-16 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (2M)-2-(6-{[(3R)-1-methylpiperidin-3-yl]amino}pyridazin-3-yl)-5-(trifluoromethyl)phenol |
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 | | A1BLV | | Name: | (1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile | | Formula: | C25 H26 N6 | | SMILES: | N#Cc1cccc2c1CCC2Nc1cc(nc(NC)n1)c1cccc(c1)N1CCCC1 | | InChi: | InChI=1S/C25H26N6/c1-27-25-29-23(17-6-4-8-19(14-17)31-12-2-3-13-31)15-24(30-25)28-22-11-10-20-18(16-26)7-5-9-21(20)22/h4-9,14-15,22H,2-3,10-13H2,1H3,(H2,27,28,29,30)/t22-/m1/s1 | | Definition date: | 2024-12-17 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile |
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 | | A1AFF | | Name: | (3S)-3-phenyl-1-[(2R)-thiolane-2-sulfonyl]pyrazolidine | | Formula: | C13 H18 N2 O2 S2 | | SMILES: | O=S(=O)(N1CCC(N1)c1ccccc1)C1CCCS1 | | InChi: | InChI=1S/C13H18N2O2S2/c16-19(17,13-7-4-10-18-13)15-9-8-12(14-15)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2/t12-,13+/m0/s1 | | Definition date: | 2024-02-23 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-3-phenyl-1-[(2R)-thiolane-2-sulfonyl]pyrazolidine |
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 | | A1A3E | | Name: | (6S)-1-(4-chlorophenyl)-6-ethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | | Formula: | C11 H14 Cl N5 | | SMILES: | Clc1ccc(cc1)N1C(N)=NC(N)=NC1CC | | InChi: | InChI=1S/C11H14ClN5/c1-2-9-15-10(13)16-11(14)17(9)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H4,13,14,15,16)/t9-/m0/s1 | | Definition date: | 2024-08-23 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (6S)-1-(4-chlorophenyl)-6-ethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine |
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 | | A1BN6 | | Name: | (3S)-1-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)acetyl]piperidine-3-carboxamide | | Formula: | C15 H21 N3 O3 | | SMILES: | O=C(CC1=C(C)C=C(C)NC1=O)N1CCCC(C1)C(N)=O | | InChi: | InChI=1S/C15H21N3O3/c1-9-6-10(2)17-15(21)12(9)7-13(19)18-5-3-4-11(8-18)14(16)20/h6,11H,3-5,7-8H2,1-2H3,(H2,16,20)(H,17,21)/t11-/m0/s1 | | Definition date: | 2025-01-10 | | Last modified: | 2025-02-21 | | Release date: | 2025-02-26 | | Identifier: | (3S)-1-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)acetyl]piperidine-3-carboxamide |
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