 | | 1XR | | Name: | Bupropion | | Formula: | C13 H18 Cl N O | | SMILES: | C[CH](NC(C)(C)C)C(=O)c1cccc(Cl)c1 | | InChi: | InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/t9-/m0/s1 | | Synonyms: | Amfebutamone | | Definition date: | 2022-11-17 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (2~{S})-2-(~{tert}-butylamino)-1-(3-chlorophenyl)propan-1-one |
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 | | A1AG1 | | Name: | (2R)-2-[(5R,6S,8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]-N-[(3,4-dichlorophenyl)methyl]-4-methylpentanamide | | Formula: | C29 H38 Cl2 N4 O2 | | SMILES: | Clc1ccc(cc1Cl)CNC(=O)C(CC(C)C)N1CCC(CCc2ccccc2)N2CC(N)CC2C1=O | | InChi: | InChI=1S/C29H38Cl2N4O2/c1-19(2)14-26(28(36)33-17-21-9-11-24(30)25(31)15-21)34-13-12-23(10-8-20-6-4-3-5-7-20)35-18-22(32)16-27(35)29(34)37/h3-7,9,11,15,19,22-23,26-27H,8,10,12-14,16-18,32H2,1-2H3,(H,33,36)/t22-,23-,26-,27+/m1/s1 | | Definition date: | 2024-03-04 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (2R)-2-[(5R,6S,8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]-N-[(3,4-dichlorophenyl)methyl]-4-methylpentanamide |
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 | | A1AI6 | | Name: | N-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-N'-(1H-pyrazolo[3,4-b]pyridin-5-yl)urea | | Formula: | C16 H16 N6 O2 | | SMILES: | O=C(Nc1cc2cn[NH]c2nc1)Nc1cccc2OCCN(C)c21 | | InChi: | InChI=1S/C16H16N6O2/c1-22-5-6-24-13-4-2-3-12(14(13)22)20-16(23)19-11-7-10-8-18-21-15(10)17-9-11/h2-4,7-9H,5-6H2,1H3,(H,17,18,21)(H2,19,20,23) | | Definition date: | 2024-04-01 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | N-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-N'-(1H-pyrazolo[3,4-b]pyridin-5-yl)urea |
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 | | A1AI7 | | Name: | (3S)-3-{[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl}-1lambda~6~-thiane-1,1-dione | | Formula: | C11 H15 N5 O2 S | | SMILES: | O=S1(=O)CCCC(CNc2ncnc3[NH]ncc32)C1 | | InChi: | InChI=1S/C11H15N5O2S/c17-19(18)3-1-2-8(6-19)4-12-10-9-5-15-16-11(9)14-7-13-10/h5,7-8H,1-4,6H2,(H2,12,13,14,15,16)/t8-/m0/s1 | | Definition date: | 2024-04-01 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (3S)-3-{[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl}-1lambda~6~-thiane-1,1-dione |
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 | | A1AI8 | | Name: | N-{(1R)-1-[(3R)-oxolan-3-yl]ethyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Formula: | C12 H16 N4 O | | SMILES: | CC(Nc1ncnc2[NH]ccc12)C1CCOC1 | | InChi: | InChI=1S/C12H16N4O/c1-8(9-3-5-17-6-9)16-12-10-2-4-13-11(10)14-7-15-12/h2,4,7-9H,3,5-6H2,1H3,(H2,13,14,15,16)/t8-,9+/m1/s1 | | Definition date: | 2024-04-01 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | N-{(1R)-1-[(3R)-oxolan-3-yl]ethyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | A1AI9 | | Name: | (3R)-3-[4-(cyclopropylcarbamamido)benzamido]-3-[3-(difluoromethyl)phenyl]propanoic acid | | Formula: | C21 H21 F2 N3 O4 | | SMILES: | O=C(Nc1ccc(cc1)C(=O)NC(CC(=O)O)c1cccc(c1)C(F)F)NC1CC1 | | InChi: | InChI=1S/C21H21F2N3O4/c22-19(23)14-3-1-2-13(10-14)17(11-18(27)28)26-20(29)12-4-6-15(7-5-12)24-21(30)25-16-8-9-16/h1-7,10,16-17,19H,8-9,11H2,(H,26,29)(H,27,28)(H2,24,25,30)/t17-/m1/s1 | | Definition date: | 2024-04-01 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (3R)-3-[4-(cyclopropylcarbamamido)benzamido]-3-[3-(difluoromethyl)phenyl]propanoic acid |
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 | | A1AIP | | Name: | 7-[(1S)-1-{[(6P)-6-(1,3-dimethyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione | | Formula: | C24 H28 N6 O2 S | | SMILES: | Cn1cc(c(C)n1)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C | | InChi: | InChI=1S/C24H28N6O2S/c1-14(2)22(17-8-7-16-6-5-9-33(31,32)21(16)10-17)28-24-18-11-20(27-23(18)25-13-26-24)19-12-30(4)29-15(19)3/h7-8,10-14,22H,5-6,9H2,1-4H3,(H2,25,26,27,28)/t22-/m0/s1 | | Definition date: | 2024-03-21 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 7-[(1S)-1-{[(6P)-6-(1,3-dimethyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione |
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 | | A1AKF | | Name: | (3R)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid | | Formula: | C16 H13 F N4 O3 | | SMILES: | Fc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12 | | InChi: | InChI=1S/C16H13FN4O3/c17-10-3-1-9(2-4-10)12(7-13(22)23)21-16(24)14-11-5-6-18-15(11)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m1/s1 | | Definition date: | 2024-04-03 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (3R)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
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 | | A1AKQ | | Name: | (3R)-3-(4-bromophenyl)-3-[(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)amino]propanoic acid | | Formula: | C17 H14 Br N3 O3 | | SMILES: | Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1cc2cc[NH]c2nc1 | | InChi: | InChI=1S/C17H14BrN3O3/c18-13-3-1-10(2-4-13)14(8-15(22)23)21-17(24)12-7-11-5-6-19-16(11)20-9-12/h1-7,9,14H,8H2,(H,19,20)(H,21,24)(H,22,23)/t14-/m1/s1 | | Definition date: | 2024-04-04 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (3R)-3-(4-bromophenyl)-3-[(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)amino]propanoic acid |
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 | | A1AKR | | Name: | 3-[4-(cyclopropylcarbamamido)benzamido]-1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid | | Formula: | C20 H19 N5 O4 | | SMILES: | O=C(NC1CC1)Nc1ccc(cc1)C(=O)Nc1c2cccnc2n(C)c1C(=O)O | | InChi: | InChI=1S/C20H19N5O4/c1-25-16(19(27)28)15(14-3-2-10-21-17(14)25)24-18(26)11-4-6-12(7-5-11)22-20(29)23-13-8-9-13/h2-7,10,13H,8-9H2,1H3,(H,24,26)(H,27,28)(H2,22,23,29) | | Definition date: | 2024-04-04 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 3-[4-(cyclopropylcarbamamido)benzamido]-1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid |
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 | | A1AKU | | Name: | (4S)-4-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-proline | | Formula: | C11 H12 N4 O3 | | SMILES: | O=C(O)C1CC(O)CN1c1ncnc2[NH]ccc12 | | InChi: | InChI=1S/C11H12N4O3/c16-6-3-8(11(17)18)15(4-6)10-7-1-2-12-9(7)13-5-14-10/h1-2,5-6,8,16H,3-4H2,(H,17,18)(H,12,13,14)/t6-,8-/m0/s1 | | Definition date: | 2024-04-04 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (4S)-4-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-proline |
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 | | A1AKV | | Name: | 3-cyclopropyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-L-alanine | | Formula: | C12 H14 N4 O2 | | SMILES: | O=C(O)C(CC1CC1)Nc1ncnc2[NH]ccc21 | | InChi: | InChI=1S/C12H14N4O2/c17-12(18)9(5-7-1-2-7)16-11-8-3-4-13-10(8)14-6-15-11/h3-4,6-7,9H,1-2,5H2,(H,17,18)(H2,13,14,15,16) | | Definition date: | 2024-04-04 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 3-cyclopropyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-L-alanine |
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 | | A1AKZ | | Name: | (3S)-3-[3-(methanesulfonamido)phenyl]-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid | | Formula: | C17 H17 N5 O5 S | | SMILES: | CS(=O)(=O)Nc1cccc(c1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12 | | InChi: | InChI=1S/C17H17N5O5S/c1-28(26,27)22-11-4-2-3-10(7-11)13(8-14(23)24)21-17(25)15-12-5-6-18-16(12)20-9-19-15/h2-7,9,13,22H,8H2,1H3,(H,21,25)(H,23,24)(H,18,19,20)/t13-/m0/s1 | | Definition date: | 2024-04-05 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (3S)-3-[3-(methanesulfonamido)phenyl]-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
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 | | A1AL0 | | Name: | N-[(1S)-2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Formula: | C14 H18 N6 | | SMILES: | Cn1cc(cn1)C(Nc1ncnc2[NH]ccc12)C(C)C | | InChi: | InChI=1S/C14H18N6/c1-9(2)12(10-6-18-20(3)7-10)19-14-11-4-5-15-13(11)16-8-17-14/h4-9,12H,1-3H3,(H2,15,16,17,19)/t12-/m0/s1 | | Definition date: | 2024-04-10 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | N-[(1S)-2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | A1AL1 | | Name: | 7-{(1S)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-methylpropyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione | | Formula: | C17 H21 Cl N4 O2 S | | SMILES: | CC(C)C(Nc1ncnc(N)c1Cl)c1ccc2CCCS(=O)(=O)c2c1 | | InChi: | InChI=1S/C17H21ClN4O2S/c1-10(2)15(22-17-14(18)16(19)20-9-21-17)12-6-5-11-4-3-7-25(23,24)13(11)8-12/h5-6,8-10,15H,3-4,7H2,1-2H3,(H3,19,20,21,22)/t15-/m0/s1 | | Definition date: | 2024-04-10 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 7-{(1S)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-methylpropyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione |
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 | | A1AL6 | | Name: | (4M)-1-methyl-4-(4-{[(1R)-2-methyl-1-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile | | Formula: | C22 H21 N9 O2 | | SMILES: | N#Cc1n(C)ncc1c1cc2c([NH]1)ncnc2NC(c1ccc2OCC(=O)Nc2n1)C(C)C | | InChi: | InChI=1S/C22H21N9O2/c1-11(2)19(14-4-5-17-22(27-14)29-18(32)9-33-17)30-21-12-6-15(28-20(12)24-10-25-21)13-8-26-31(3)16(13)7-23/h4-6,8,10-11,19H,9H2,1-3H3,(H,27,29,32)(H2,24,25,28,30)/t19-/m0/s1 | | Definition date: | 2024-04-11 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (4M)-1-methyl-4-(4-{[(1R)-2-methyl-1-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile |
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 | | A1AL7 | | Name: | 2-[(4P)-4-(4-{[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]-N,N-dimethylacetamide | | Formula: | C25 H29 N7 O3 | | SMILES: | CN(C)C(=O)Cn1cc(cn1)c1cc2c([NH]1)ncnc2NC(c1ccc2OCCOc2c1)C(C)C | | InChi: | InChI=1S/C25H29N7O3/c1-15(2)23(16-5-6-20-21(9-16)35-8-7-34-20)30-25-18-10-19(29-24(18)26-14-27-25)17-11-28-32(12-17)13-22(33)31(3)4/h5-6,9-12,14-15,23H,7-8,13H2,1-4H3,(H2,26,27,29,30)/t23-/m0/s1 | | Definition date: | 2024-04-11 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 2-[(4P)-4-(4-{[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]-N,N-dimethylacetamide |
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 | | A1ALQ | | Name: | (4M)-4-(4-{[(1S)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2,2-dimethylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile | | Formula: | C23 H24 N8 O2 | | SMILES: | N#Cc1n(C)ncc1c1cc2c([NH]1)ncnc2NC(c1ccc2OCCOc2n1)C(C)(C)C | | InChi: | InChI=1S/C23H24N8O2/c1-23(2,3)19(15-5-6-18-22(29-15)33-8-7-32-18)30-21-13-9-16(28-20(13)25-12-26-21)14-11-27-31(4)17(14)10-24/h5-6,9,11-12,19H,7-8H2,1-4H3,(H2,25,26,28,30)/t19-/m1/s1 | | Definition date: | 2024-04-09 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (4M)-4-(4-{[(1S)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2,2-dimethylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile |
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 | | A1ALS | | Name: | N-[(1S)-1-(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)-2-methylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Formula: | C14 H20 N4 S | | SMILES: | CC(C)C(Nc1ncnc2[NH]ccc12)C=1CCCS=1 | | InChi: | InChI=1S/C14H20N4S/c1-9(2)12(11-4-3-7-19-11)18-14-10-5-6-15-13(10)16-8-17-14/h5-6,8-9,12,19H,3-4,7H2,1-2H3,(H2,15,16,17,18)/t12-/m0/s1 | | Definition date: | 2024-04-09 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | N-[(1S)-1-(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)-2-methylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | A1ALY | | Name: | N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Formula: | C11 H14 F2 N4 | | SMILES: | CC(C)C(Nc1ncnc2[NH]ccc21)C(F)F | | InChi: | InChI=1S/C11H14F2N4/c1-6(2)8(9(12)13)17-11-7-3-4-14-10(7)15-5-16-11/h3-6,8-9H,1-2H3,(H2,14,15,16,17)/t8-/m1/s1 | | Definition date: | 2024-04-10 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | A1AMQ | | Name: | 4-{[(S)-cyclopropyl(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)methyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | | Formula: | C22 H25 N5 O3 S | | SMILES: | CCNC(=O)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C1CC1 | | InChi: | InChI=1S/C22H25N5O3S/c1-2-23-22(28)17-11-16-20(26-17)24-12-25-21(16)27-19(14-6-7-14)15-8-5-13-4-3-9-31(29,30)18(13)10-15/h5,8,10-12,14,19H,2-4,6-7,9H2,1H3,(H,23,28)(H2,24,25,26,27)/t19-/m0/s1 | | Definition date: | 2024-04-15 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 4-{[(S)-cyclopropyl(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)methyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
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 | | A1AMR | | Name: | 2-[(4P)-4-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]acetamide | | Formula: | C24 H27 N7 O3 S | | SMILES: | NC(=O)Cn1cc(cn1)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C | | InChi: | InChI=1S/C24H27N7O3S/c1-14(2)22(16-6-5-15-4-3-7-35(33,34)20(15)8-16)30-24-18-9-19(29-23(18)26-13-27-24)17-10-28-31(11-17)12-21(25)32/h5-6,8-11,13-14,22H,3-4,7,12H2,1-2H3,(H2,25,32)(H2,26,27,29,30) | | Definition date: | 2024-04-15 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 2-[(4P)-4-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]acetamide |
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 | | A1AMU | | Name: | (2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid | | Formula: | C17 H15 Br N4 O3 | | SMILES: | O=C(O)C(C)C(NC(=O)c1ncnc2[NH]ccc12)c1ccc(Br)cc1 | | InChi: | InChI=1S/C17H15BrN4O3/c1-9(17(24)25)13(10-2-4-11(18)5-3-10)22-16(23)14-12-6-7-19-15(12)21-8-20-14/h2-9,13H,1H3,(H,22,23)(H,24,25)(H,19,20,21)/t9-,13-/m0/s1 | | Definition date: | 2024-04-15 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
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 | | A1AMV | | Name: | 4-{[(1S)-1-(2-aminopyridin-4-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | | Formula: | C18 H23 N7 O | | SMILES: | Nc1nccc(c1)C(Nc1ncnc2[NH]c(cc21)C(=O)NCC)C(C)C | | InChi: | InChI=1S/C18H23N7O/c1-4-20-18(26)13-8-12-16(24-13)22-9-23-17(12)25-15(10(2)3)11-5-6-21-14(19)7-11/h5-10,15H,4H2,1-3H3,(H2,19,21)(H,20,26)(H2,22,23,24,25)/t15-/m0/s1 | | Definition date: | 2024-04-15 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 4-{[(1S)-1-(2-aminopyridin-4-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
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 | | A1ANU | | Name: | 7-[(1R)-1-{[(6M)-6-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione | | Formula: | C29 H31 N5 O3 S | | SMILES: | O=C1Nc2ccc(cc2C1(C)C)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C | | InChi: | InChI=1S/C29H31N5O3S/c1-16(2)25(19-8-7-17-6-5-11-38(36,37)24(17)13-19)34-27-20-14-23(32-26(20)30-15-31-27)18-9-10-22-21(12-18)29(3,4)28(35)33-22/h7-10,12-16,25H,5-6,11H2,1-4H3,(H,33,35)(H2,30,31,32,34)/t25-/m1/s1 | | Definition date: | 2024-04-17 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 7-[(1R)-1-{[(6M)-6-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione |
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