 | | 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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 | | KW0 | | Name: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid | | Formula: | C26 H50 N O9 P | | SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OC[CH](COCC)O[P](O)(=O)OC[CH](N)C(O)=O | | InChi: | InChI=1S/C26H50NO9P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)34-21-23(20-33-4-2)36-37(31,32)35-22-24(27)26(29)30/h11-12,23-24H,3-10,13-22,27H2,1-2H3,(H,29,30)(H,31,32)/b12-11-/t23-,24+/m1/s1 | | Definition date: | 2022-10-20 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid |
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 | | A1H0Z | | Name: | D-Ribitol-5-phosphate | | Formula: | C5 H13 O8 P | | SMILES: | OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O | | InChi: | InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1 | | Synonyms: | [(2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl] dihydrogen phosphate | | Definition date: | 2023-12-20 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] dihydrogen phosphate |
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 | | A1H1A | | Name: | Haemophilus influenzae type b (Hib) DP2 oligosaccharide | | Formula: | C20 H40 O23 P2 | | SMILES: | OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[CH]1[CH](O)[CH](OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[CH]2[CH](O)[CH](O)O[CH]2CO)O[CH]1CO | | InChi: | InChI=1S/C20H40O23P2/c21-1-7(24)13(28)9(26)5-38-45(35,36)43-18-12(3-23)41-20(16(18)31)37-4-8(25)14(29)10(27)6-39-44(33,34)42-17-11(2-22)40-19(32)15(17)30/h7-32H,1-6H2,(H,33,34)(H,35,36)/t7-,8-,9+,10+,11+,12+,13-,14-,15+,16+,17+,18+,19+,20+/m0/s1 | | Synonyms: | [(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxolan-3-yl] [(2~{R},3~{S},4~{S})-5-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3-oxidanyl-4-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-oxolan-2-yl]oxy-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | Definition date: | 2023-12-21 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxolan-3-yl] [(2~{R},3~{S},4~{S})-5-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3-oxidanyl-4-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-oxolan-2-yl]oxy-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate |
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 | | A1H3V | | Name: | (3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one | | Formula: | C8 H13 N O5 | | SMILES: | OC[CH]1C[CH]2OC(=O)N[CH]2[CH](O)[CH]1O | | InChi: | InChI=1S/C8H13NO5/c10-2-3-1-4-5(7(12)6(3)11)9-8(13)14-4/h3-7,10-12H,1-2H2,(H,9,13)/t3-,4+,5+,6-,7-/m1/s1 | | Synonyms: | alpha-1,2-cyclophellitol analogue | | Definition date: | 2024-02-07 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one |
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 | | A1H4F | | Name: | (2S)-2-[2-[4-[[(2R,3S,4S)-3-acetyloxy-4-oxidanyl-pyrrolidin-2-yl]methyl]phenoxy]ethanoylamino]-6-azanyl-hexanoic acid | | Formula: | C21 H31 N3 O7 | | SMILES: | CC(=O)O[CH]1[CH](O)CN[CH]1Cc2ccc(OCC(=O)N[CH](CCCCN)C(O)=O)cc2 | | InChi: | InChI=1S/C21H31N3O7/c1-13(25)31-20-17(23-11-18(20)26)10-14-5-7-15(8-6-14)30-12-19(27)24-16(21(28)29)4-2-3-9-22/h5-8,16-18,20,23,26H,2-4,9-12,22H2,1H3,(H,24,27)(H,28,29)/t16-,17+,18-,20-/m0/s1 | | Definition date: | 2024-02-14 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (2~{S})-2-[2-[4-[[(2~{R},3~{S},4~{S})-3-acetyloxy-4-oxidanyl-pyrrolidin-2-yl]methyl]phenoxy]ethanoylamino]-6-azanyl-hexanoic acid |
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 | | A1H5V | | Name: | 5-chloranyl-2-ethoxy-4-fluoranyl-~{N}-[4-[[3-(methoxymethyl)-1-oxidanylidene-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2]benzodiazepin-2-yl]amino]-2,2-dimethyl-4-oxidanylidene-butyl]benzamide | | Formula: | C29 H34 Cl F N4 O5 | | SMILES: | CCOc1cc(F)c(Cl)cc1C(=O)NCC(C)(C)CC(=O)NC2=C(COC)N3CCCc4ccccc4N3C2=O | | InChi: | InChI=1S/C29H34ClFN4O5/c1-5-40-24-14-21(31)20(30)13-19(24)27(37)32-17-29(2,3)15-25(36)33-26-23(16-39-4)34-12-8-10-18-9-6-7-11-22(18)35(34)28(26)38/h6-7,9,11,13-14H,5,8,10,12,15-17H2,1-4H3,(H,32,37)(H,33,36) | | Definition date: | 2024-03-08 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 5-chloranyl-2-ethoxy-4-fluoranyl-~{N}-[4-[[3-(methoxymethyl)-1-oxidanylidene-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2]benzodiazepin-2-yl]amino]-2,2-dimethyl-4-oxidanylidene-butyl]benzamide |
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 | | A1LZA | | Name: | 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one | | Formula: | C24 H26 N4 O | | SMILES: | Cc1ccccc1CN2CCN3C4=C(CN(CC4)Cc5ccccc5)C(=O)N=C23 | | InChi: | InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-27-13-14-28-22-11-12-26(15-19-8-3-2-4-9-19)17-21(22)23(29)25-24(27)28/h2-10H,11-17H2,1H3 | | Definition date: | 2024-03-16 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one |
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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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 | | A1AJF | | Name: | 4-[(3S)-3-(1H-1,2,4-triazol-1-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C12 H13 N7 | | SMILES: | C1CC(CN1c1ncnc2[NH]ccc21)n1cncn1 | | InChi: | InChI=1S/C12H13N7/c1-3-14-11-10(1)12(16-7-15-11)18-4-2-9(5-18)19-8-13-6-17-19/h1,3,6-9H,2,4-5H2,(H,14,15,16)/t9-/m0/s1 | | Definition date: | 2024-04-03 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 4-[(3S)-3-(1H-1,2,4-triazol-1-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
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 | | A1AKE | | Name: | (2R)-(2,3-dihydro-1-benzofuran-5-yl)[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]acetic acid | | Formula: | C17 H14 N4 O4 | | SMILES: | O=C(O)C(NC(=O)c1ncnc2[NH]ccc21)c1cc2CCOc2cc1 | | InChi: | InChI=1S/C17H14N4O4/c22-16(14-11-3-5-18-15(11)20-8-19-14)21-13(17(23)24)10-1-2-12-9(7-10)4-6-25-12/h1-3,5,7-8,13H,4,6H2,(H,21,22)(H,23,24)(H,18,19,20) | | Definition date: | 2024-04-03 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | (2R)-(2,3-dihydro-1-benzofuran-5-yl)[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]acetic acid |
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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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 | | 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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 | | A1ALR | | Name: | 7-[(1S)-2-methyl-1-{[(6M)-6-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione | | Formula: | C22 H25 N7 O2 S | | SMILES: | Cn1cc(cn1)c1cc2c([NH]1)ncnc2NC(c1ccc2CCNS(=O)(=O)c2c1)C(C)C | | InChi: | InChI=1S/C22H25N7O2S/c1-13(2)20(15-5-4-14-6-7-26-32(30,31)19(14)8-15)28-22-17-9-18(16-10-25-29(3)11-16)27-21(17)23-12-24-22/h4-5,8-13,20,26H,6-7H2,1-3H3,(H2,23,24,27,28)/t20-/m0/s1 | | Definition date: | 2024-04-09 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 7-[(1S)-2-methyl-1-{[(6M)-6-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione |
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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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