 | | A1AVE | | Name: | N-ethyl-5-fluoro-2-[(5-{7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl}-1,2,4-triazin-6-yl)oxy]-N-(propan-2-yl)benzamide | | Formula: | C27 H37 F N6 O2 | | SMILES: | CC(C)N(CC)C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(CC2)CC2(C)CC2)C1 | | InChi: | InChI=1S/C27H37FN6O2/c1-5-34(19(2)3)25(35)21-14-20(28)6-7-22(21)36-24-23(29-18-30-31-24)33-16-27(17-33)10-12-32(13-11-27)15-26(4)8-9-26/h6-7,14,18-19H,5,8-13,15-17H2,1-4H3 | | Definition date: | 2024-06-14 | | Last modified: | 2025-01-10 | | Release date: | 2025-01-15 | | Identifier: | N-ethyl-5-fluoro-2-[(5-{7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl}-1,2,4-triazin-6-yl)oxy]-N-(propan-2-yl)benzamide |
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 | | A1AWA | | Name: | N-[(2S)-1-{[(2S)-1-hydroxy-3-(pyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Formula: | C24 H30 N4 O4 | | SMILES: | OCC(Cc1cccnc1)NC(=O)C(CC(C)C)NC(=O)c1cc2c(cccc2OC)[NH]1 | | InChi: | InChI=1S/C24H30N4O4/c1-15(2)10-20(23(30)26-17(14-29)11-16-6-5-9-25-13-16)28-24(31)21-12-18-19(27-21)7-4-8-22(18)32-3/h4-9,12-13,15,17,20,27,29H,10-11,14H2,1-3H3,(H,26,30)(H,28,31)/t17-,20-/m0/s1 | | Definition date: | 2024-06-28 | | Last modified: | 2025-01-10 | | Release date: | 2025-01-15 | | Identifier: | N-[(2S)-1-{[(2S)-1-hydroxy-3-(pyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
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 | | A1AWB | | Name: | N-[(2S)-3-cyclohexyl-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-1-oxopropan-2-yl]-1H-indole-2-carboxamide | | Formula: | C26 H32 N4 O4 | | SMILES: | O=C1NC=CC=C1CC(CO)NC(=O)C(CC1CCCCC1)NC(=O)c1cc2ccccc2[NH]1 | | InChi: | InChI=1S/C26H32N4O4/c31-16-20(14-19-10-6-12-27-24(19)32)28-25(33)22(13-17-7-2-1-3-8-17)30-26(34)23-15-18-9-4-5-11-21(18)29-23/h4-6,9-12,15,17,20,22,29,31H,1-3,7-8,13-14,16H2,(H,27,32)(H,28,33)(H,30,34)/t20-,22-/m0/s1 | | Definition date: | 2024-06-28 | | Last modified: | 2025-01-10 | | Release date: | 2025-01-15 | | Identifier: | N-[(2S)-3-cyclohexyl-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-1-oxopropan-2-yl]-1H-indole-2-carboxamide |
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 | | VP4 | | Name: | N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide | | Formula: | C21 H23 Cl N4 O2 | | SMILES: | CN(c1cc(ccc1Cl)NC(=O)C(C)Nc2ccc3c(c2)cc(cn3)CO)C | | InChi: | InChI=1S/C21H23ClN4O2/c1-13(21(28)25-17-4-6-18(22)20(10-17)26(2)3)24-16-5-7-19-15(9-16)8-14(12-27)11-23-19/h4-11,13,24,27H,12H2,1-3H3,(H,25,28)/t13-/m0/s1 | | Definition date: | 2020-08-31 | | Last modified: | 2025-01-10 | | Release date: | 2025-01-15 | | Identifier: | N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide |
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 | | W4K | | Name: | (2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol | | Formula: | C20 H26 F N O3 | | SMILES: | CC[CH](O[CH](C)CO)c1ccc(cc1NCCO)c2ccccc2F | | InChi: | InChI=1S/C20H26FNO3/c1-3-20(25-14(2)13-24)17-9-8-15(12-19(17)22-10-11-23)16-6-4-5-7-18(16)21/h4-9,12,14,20,22-24H,3,10-11,13H2,1-2H3/t14-,20+/m1/s1 | | Definition date: | 2023-09-25 | | Last modified: | 2025-01-10 | | Release date: | 2025-01-15 | | Identifier: | (2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol |
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 | | W5K | | Name: | (2~{R})-2-[(1~{R})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol | | Formula: | C20 H26 F N O3 | | SMILES: | CC[CH](O[CH](C)CO)c1ccc(cc1NCCO)c2ccccc2F | | InChi: | InChI=1S/C20H26FNO3/c1-3-20(25-14(2)13-24)17-9-8-15(12-19(17)22-10-11-23)16-6-4-5-7-18(16)21/h4-9,12,14,20,22-24H,3,10-11,13H2,1-2H3/t14-,20-/m1/s1 | | Definition date: | 2023-09-25 | | Last modified: | 2025-01-10 | | Release date: | 2025-01-15 | | Identifier: | (2~{R})-2-[(1~{R})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol |
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 | | WD6 | | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(prop-2-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide | | Formula: | C32 H30 Cl2 F N5 O3 | | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCC#C | | InChi: | InChI=1S/C32H30Cl2FN5O3/c1-2-13-38-30(41)18-26(14-20-7-11-25(35)12-8-20)39-32(43)29(16-22-9-10-24(33)17-27(22)34)40-31(42)28(37)15-21-5-3-4-6-23(21)19-36/h1,3-12,17,26,28-29H,13-16,18,37H2,(H,38,41)(H,39,43)(H,40,42)/t26-,28+,29+/m0/s1 | | Definition date: | 2023-10-02 | | Last modified: | 2025-01-10 | | Release date: | 2025-01-15 | | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(prop-2-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide |
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 | | WDF | | Name: | 2,4-dichloro-Nalpha-[(2R)-2-chloro-3-(2-cyanophenyl)propanoyl]-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide | | Formula: | C35 H39 Cl3 F N5 O3 | | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(Cl)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCN(C)C | | InChi: | InChI=1S/C35H39Cl3FN5O3/c1-44(2)16-6-5-15-41-33(45)21-29(17-23-9-13-28(39)14-10-23)42-35(47)32(19-25-11-12-27(36)20-30(25)37)43-34(46)31(38)18-24-7-3-4-8-26(24)22-40/h3-4,7-14,20,29,31-32H,5-6,15-19,21H2,1-2H3,(H,41,45)(H,42,47)(H,43,46)/t29-,31+,32+/m0/s1 | | Definition date: | 2023-10-02 | | Last modified: | 2025-01-10 | | Release date: | 2025-01-15 | | Identifier: | 2,4-dichloro-Nalpha-[(2R)-2-chloro-3-(2-cyanophenyl)propanoyl]-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide |
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 | | WHE | | Name: | (4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide | | Formula: | C23 H21 Cl F N5 O S | | SMILES: | Fc1cccc(Cl)c1Nc1cc2cnn(c3cc(sc3)C(=O)NC)c2cc1CN1CCC1 | | InChi: | InChI=1S/C23H21ClFN5OS/c1-26-23(31)21-10-16(13-32-21)30-20-9-15(12-29-6-3-7-29)19(8-14(20)11-27-30)28-22-17(24)4-2-5-18(22)25/h2,4-5,8-11,13,28H,3,6-7,12H2,1H3,(H,26,31) | | Definition date: | 2022-09-09 | | Last modified: | 2025-01-10 | | Release date: | 2025-01-15 | | Identifier: | (4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide |
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 | | A1IU7 | | Name: | ~{N}-[2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide | | Formula: | C16 H15 N3 O | | SMILES: | CCC(=O)Nc1ccccc1c2cnc3[nH]ccc3c2 | | InChi: | InChI=1S/C16H15N3O/c1-2-15(20)19-14-6-4-3-5-13(14)12-9-11-7-8-17-16(11)18-10-12/h3-10H,2H2,1H3,(H,17,18)(H,19,20) | | Definition date: | 2024-11-25 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | ~{N}-[2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide |
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 | | A1IBA | | Name: | N-(4-quinazolin-4-ylphenyl)propanamide | | Formula: | C17 H15 N3 O | | SMILES: | CCC(=O)Nc1ccc(cc1)c2ncnc3ccccc23 | | InChi: | InChI=1S/C17H15N3O/c1-2-16(21)20-13-9-7-12(8-10-13)17-14-5-3-4-6-15(14)18-11-19-17/h3-11H,2H2,1H3,(H,20,21) | | Definition date: | 2024-05-10 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | ~{N}-(4-quinazolin-4-ylphenyl)propanamide |
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 | | A1ASZ | | Name: | 5-sulfanyl-L-histidine | | Formula: | C6 H9 N3 O2 S | | SMILES: | Sc1[NH]cnc1CC(N)C(=O)O | | InChi: | InChI=1S/C6H9N3O2S/c7-3(6(10)11)1-4-5(12)9-2-8-4/h2-3,12H,1,7H2,(H,8,9)(H,10,11)/t3-/m0/s1 | | Definition date: | 2024-05-23 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | 5-sulfanyl-L-histidine |
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 | | A1AWZ | | Name: | (2S)-1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-[(4M)-4-(8-methoxyquinolin-6-yl)-1H-1,2,3-triazol-1-yl]propan-2-ol | | Formula: | C29 H24 F5 N5 O3 | | SMILES: | OC(Cn1cc(nn1)c1cc2cccnc2c(OC)c1)(c1cc(c(F)c(n1)c1ccc(F)cc1)C(C)(C)O)C(F)(F)F | | InChi: | InChI=1S/C29H24F5N5O3/c1-27(2,40)20-13-23(36-26(24(20)31)16-6-8-19(30)9-7-16)28(41,29(32,33)34)15-39-14-21(37-38-39)18-11-17-5-4-10-35-25(17)22(12-18)42-3/h4-14,40-41H,15H2,1-3H3/t28-/m0/s1 | | Synonyms: | JNJ-2729 | | Definition date: | 2024-07-10 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | (2S)-1,1,1-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-[(4M)-4-(8-methoxyquinolin-6-yl)-1H-1,2,3-triazol-1-yl]propan-2-ol |
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 | | A1A4U | | Name: | (2R)-2-{[(2S)-2-(benzenesulfonamido)-3-phenylpropyl]sulfanyl}-3-phenyl-N-[3-(pyridin-3-yl)propyl]propanamide | | Formula: | C32 H35 N3 O3 S2 | | SMILES: | O=S(=O)(NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1ccccc1 | | InChi: | InChI=1S/C32H35N3O3S2/c36-32(34-21-11-17-28-16-10-20-33-24-28)31(23-27-14-6-2-7-15-27)39-25-29(22-26-12-4-1-5-13-26)35-40(37,38)30-18-8-3-9-19-30/h1-10,12-16,18-20,24,29,31,35H,11,17,21-23,25H2,(H,34,36)/t29-,31+/m0/s1 | | Definition date: | 2024-09-05 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | (2R)-2-{[(2S)-2-(benzenesulfonamido)-3-phenylpropyl]sulfanyl}-3-phenyl-N-[3-(pyridin-3-yl)propyl]propanamide |
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 | | A1A4V | | Name: | N-[(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]pyridine-3-carboxamide | | Formula: | C36 H36 N4 O2 S | | SMILES: | O=C(NC(Cc1cccc2ccccc21)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1cccnc1 | | InChi: | InChI=1S/C36H36N4O2S/c41-35(31-17-9-20-38-25-31)40-32(23-30-16-6-15-29-14-4-5-18-33(29)30)26-43-34(22-27-10-2-1-3-11-27)36(42)39-21-8-13-28-12-7-19-37-24-28/h1-7,9-12,14-20,24-25,32,34H,8,13,21-23,26H2,(H,39,42)(H,40,41)/t32-,34+/m0/s1 | | Definition date: | 2024-09-05 | | Last modified: | 2025-01-03 | | Release date: | 2025-01-08 | | Identifier: | N-[(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]pyridine-3-carboxamide |
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 | | A1AFA | | Name: | N-(2,4-dichlorobenzoyl)-L-phenylalanine | | Formula: | C16 H13 Cl2 N O3 | | SMILES: | O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1Cl | | InChi: | InChI=1S/C16H13Cl2NO3/c17-11-6-7-12(13(18)9-11)15(20)19-14(16(21)22)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,19,20)(H,21,22)/t14-/m0/s1 | | Definition date: | 2024-02-22 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | N-(2,4-dichlorobenzoyl)-L-phenylalanine |
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 | | A1AFR | | Name: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]propan-1-one | | Formula: | C22 H24 N6 O3 | | SMILES: | CCC(=O)N1CCC(C1)n1nc(C#Cc2cc(OC)cc(OC)c2)c2c(N)ncnc21 | | InChi: | InChI=1S/C22H24N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h9-11,13,15H,4,7-8,12H2,1-3H3,(H2,23,24,25)/t15-/m0/s1 | | Definition date: | 2024-02-23 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]propan-1-one |
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 | | A1BJD | | Name: | 3-{[(2S)-1-{[(5P)-3-chloro-5-(1H-imidazol-2-yl)phenyl]amino}-1-oxopropan-2-yl](methyl)carbamoyl}pyridine-2-carboxylic acid | | Formula: | C20 H18 Cl N5 O4 | | SMILES: | O=C(O)c1ncccc1C(=O)N(C)C(C)C(=O)Nc1cc(Cl)cc(c1)c1ncc[NH]1 | | InChi: | InChI=1S/C20H18ClN5O4/c1-11(26(2)19(28)15-4-3-5-22-16(15)20(29)30)18(27)25-14-9-12(8-13(21)10-14)17-23-6-7-24-17/h3-11H,1-2H3,(H,23,24)(H,25,27)(H,29,30)/t11-/m0/s1 | | Definition date: | 2024-12-06 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | 3-{[(2S)-1-{[(5P)-3-chloro-5-(1H-imidazol-2-yl)phenyl]amino}-1-oxopropan-2-yl](methyl)carbamoyl}pyridine-2-carboxylic acid |
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 | | A1LWZ | | Name: | ~{N}-[2-azanyl-3-fluoranyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3-cyclopentyl-propanamide | | Formula: | C22 H25 F4 N3 O | | SMILES: | Nc1c(F)c(NCc2ccc(cc2)C(F)(F)F)ccc1NC(=O)CCC3CCCC3 | | InChi: | InChI=1S/C22H25F4N3O/c23-20-17(28-13-15-5-8-16(9-6-15)22(24,25)26)10-11-18(21(20)27)29-19(30)12-7-14-3-1-2-4-14/h5-6,8-11,14,28H,1-4,7,12-13,27H2,(H,29,30) | | Definition date: | 2024-01-24 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | ~{N}-[2-azanyl-3-fluoranyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3-cyclopentyl-propanamide |
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 | | LH6 | | Name: | (2~{S})-2-(methylamino)-3-[4-[(1~{E})-3-methylbuta-1,3-dienyl]-1~{H}-indol-3-yl]propanoic acid | | Formula: | C17 H20 N2 O2 | | SMILES: | CN[CH](Cc1c[nH]c2cccc(C=CC(C)=C)c12)C(O)=O | | InChi: | InChI=1S/C17H20N2O2/c1-11(2)7-8-12-5-4-6-14-16(12)13(10-19-14)9-15(18-3)17(20)21/h4-8,10,15,18-19H,1,9H2,2-3H3,(H,20,21)/b8-7+/t15-/m0/s1 | | Definition date: | 2022-11-20 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | (2~{S})-2-(methylamino)-3-[4-[(1~{E})-3-methylbuta-1,3-dienyl]-1~{H}-indol-3-yl]propanoic acid |
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 | | WBE | | Name: | 2-cyano-D-phenylalanyl-N-[(2S)-4-({3-[(5-amino-4H-1,2,4-triazol-3-yl)amino]propyl}amino)-1-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dichloro-D-phenylalaninamide | | Formula: | C34 H37 Cl2 F N10 O3 | | SMILES: | N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCNc1nnc(N)[NH]1 | | InChi: | InChI=1S/C34H37Cl2FN10O3/c35-24-9-8-22(27(36)17-24)16-29(44-31(49)28(39)15-21-4-1-2-5-23(21)19-38)32(50)43-26(14-20-6-10-25(37)11-7-20)18-30(48)41-12-3-13-42-34-45-33(40)46-47-34/h1-2,4-11,17,26,28-29H,3,12-16,18,39H2,(H,41,48)(H,43,50)(H,44,49)(H4,40,42,45,46,47)/t26-,28+,29+/m0/s1 | | Definition date: | 2023-09-29 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | 2-cyano-D-phenylalanyl-N-[(2S)-4-({3-[(5-amino-4H-1,2,4-triazol-3-yl)amino]propyl}amino)-1-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dichloro-D-phenylalaninamide |
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 | | WBK | | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[5-(dimethylamino)pentyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide | | Formula: | C36 H43 Cl2 F N6 O3 | | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCCN(C)C | | InChi: | InChI=1S/C36H43Cl2FN6O3/c1-45(2)17-7-3-6-16-42-34(46)22-30(18-24-10-14-29(39)15-11-24)43-36(48)33(20-26-12-13-28(37)21-31(26)38)44-35(47)32(41)19-25-8-4-5-9-27(25)23-40/h4-5,8-15,21,30,32-33H,3,6-7,16-20,22,41H2,1-2H3,(H,42,46)(H,43,48)(H,44,47)/t30-,32+,33+/m0/s1 | | Definition date: | 2023-09-29 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[5-(dimethylamino)pentyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide |
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 | | WBO | | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide | | Formula: | C35 H41 Cl2 F N6 O3 | | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCN(C)C | | InChi: | InChI=1S/C35H41Cl2FN6O3/c1-44(2)16-6-5-15-41-33(45)21-29(17-23-9-13-28(38)14-10-23)42-35(47)32(19-25-11-12-27(36)20-30(25)37)43-34(46)31(40)18-24-7-3-4-8-26(24)22-39/h3-4,7-14,20,29,31-32H,5-6,15-19,21,40H2,1-2H3,(H,41,45)(H,42,47)(H,43,46)/t29-,31+,32+/m0/s1 | | Definition date: | 2023-09-29 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide |
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 | | WCZ | | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutan-2-yl]-D-phenylalaninamide | | Formula: | C37 H44 Cl2 F N7 O3 | | SMILES: | N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCN1CCN(C)CC1 | | InChi: | InChI=1S/C37H44Cl2FN7O3/c1-46-15-17-47(18-16-46)14-4-13-43-35(48)23-31(19-25-7-11-30(40)12-8-25)44-37(50)34(21-27-9-10-29(38)22-32(27)39)45-36(49)33(42)20-26-5-2-3-6-28(26)24-41/h2-3,5-12,22,31,33-34H,4,13-21,23,42H2,1H3,(H,43,48)(H,44,50)(H,45,49)/t31-,33+,34+/m0/s1 | | Definition date: | 2023-10-02 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-4-oxobutan-2-yl]-D-phenylalaninamide |
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 | | WDQ | | Name: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[3-(pyridin-3-yl)propyl]amino}butan-2-yl]-D-phenylalaninamide | | Formula: | C37 H37 Cl2 F N6 O3 | | SMILES: | N#Cc1ccccc1CC(N)C(=O)NC(Cc1ccc(Cl)cc1Cl)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCc1cccnc1 | | InChi: | InChI=1S/C37H37Cl2FN6O3/c38-29-12-11-27(32(39)20-29)19-34(46-36(48)33(42)18-26-7-1-2-8-28(26)22-41)37(49)45-31(17-24-9-13-30(40)14-10-24)21-35(47)44-16-4-6-25-5-3-15-43-23-25/h1-3,5,7-15,20,23,31,33-34H,4,6,16-19,21,42H2,(H,44,47)(H,45,49)(H,46,48)/t31-,33+,34+/m0/s1 | | Definition date: | 2023-10-02 | | Last modified: | 2024-12-27 | | Release date: | 2025-01-01 | | Identifier: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[3-(pyridin-3-yl)propyl]amino}butan-2-yl]-D-phenylalaninamide |
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