![QTN QTN](https://data.pdbj.org/pdbjplus/data/cc/svg/QTN.svg) | QTN | Name: | (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol | Formula: | C26 H27 Cl N4 O5 S | SMILES: | C[S](C)(O)Nc1ccc(cc1)c2ccc(cc2)c3nc4[nH]c(O[CH]5CO[CH]6[CH](O)CO[CH]56)nc4cc3Cl | InChi: | InChI=1S/C26H27ClN4O5S/c1-37(2,33)31-17-9-7-15(8-10-17)14-3-5-16(6-4-14)22-18(27)11-19-25(29-22)30-26(28-19)36-21-13-35-23-20(32)12-34-24(21)23/h3-11,20-21,23-24,31-33H,12-13H2,1-2H3,(H,28,29,30)/t20-,21-,23-,24-/m1/s1 | Definition date: | 2020-08-07 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol |
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![RYF RYF](https://data.pdbj.org/pdbjplus/data/cc/svg/RYF.svg) | RYF | Name: | ~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C11 H8 I N5 | SMILES: | Ic1ccc(Nc2ncnc3[nH]ncc23)cc1 | InChi: | InChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17) | Definition date: | 2022-12-09 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | ~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine |
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![AIE AIE](https://data.pdbj.org/pdbjplus/data/cc/svg/AIE.svg) | AIE | Name: | 3-ethanoyl-N-phenyl-benzamide | Formula: | C15 H13 N O2 | SMILES: | CC(=O)c1cccc(c1)C(=O)Nc2ccccc2 | InChi: | InChI=1S/C15H13NO2/c1-11(17)12-6-5-7-13(10-12)15(18)16-14-8-3-2-4-9-14/h2-10H,1H3,(H,16,18) | Synonyms: | AKOS000277907 | Definition date: | 2023-05-16 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | 3-ethanoyl-~{N}-phenyl-benzamide |
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![AJF AJF](https://data.pdbj.org/pdbjplus/data/cc/svg/AJF.svg) | AJF | Name: | methyl (2S)-2-[(3-ethanoylphenyl)carbonylamino]-3-phenyl-propanoate | Formula: | C19 H19 N O4 | SMILES: | COC(=O)[CH](Cc1ccccc1)NC(=O)c2cccc(c2)C(C)=O | InChi: | InChI=1S/C19H19NO4/c1-13(21)15-9-6-10-16(12-15)18(22)20-17(19(23)24-2)11-14-7-4-3-5-8-14/h3-10,12,17H,11H2,1-2H3,(H,20,22)/t17-/m0/s1 | Definition date: | 2023-05-16 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | methyl (2~{S})-2-[(3-ethanoylphenyl)carbonylamino]-3-phenyl-propanoate |
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![AO0 AO0](https://data.pdbj.org/pdbjplus/data/cc/svg/AO0.svg) | AO0 | Name: | 1-[3-(diphenoxyphosphorylamino)phenyl]ethanone | Formula: | C20 H18 N O4 P | SMILES: | CC(=O)c1cccc(N[P](=O)(Oc2ccccc2)Oc3ccccc3)c1 | InChi: | InChI=1S/C20H18NO4P/c1-16(22)17-9-8-10-18(15-17)21-26(23,24-19-11-4-2-5-12-19)25-20-13-6-3-7-14-20/h2-15H,1H3,(H,21,23) | Definition date: | 2023-05-16 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | 1-[3-(diphenoxyphosphorylamino)phenyl]ethanone |
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![A1AI7 A1AI7](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AI7.svg) | 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 A1AI8](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AI8.svg) | 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 A1AI9](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AI9.svg) | 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 A1AIP](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AIP.svg) | 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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![A1AJE A1AJE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJE.svg) | A1AJE | Name: | (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid | Formula: | C8 H9 N O4 S | SMILES: | OS(=O)c1cc(c(OC)cc1)C(N)=O | InChi: | InChI=1S/C8H9NO4S/c1-13-7-3-2-5(14(11)12)4-6(7)8(9)10/h2-4H,1H3,(H2,9,10)(H,11,12) | Definition date: | 2024-04-03 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid |
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![A1AJF A1AJF](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJF.svg) | 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 A1AKE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AKE.svg) | 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 A1AKF](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AKF.svg) | 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 A1AKQ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AKQ.svg) | 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 A1AKR](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AKR.svg) | 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 A1AKU](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AKU.svg) | 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 A1AKV](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AKV.svg) | 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 A1AKZ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AKZ.svg) | 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 A1AL7](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AL7.svg) | 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 A1ALQ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ALQ.svg) | 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 A1ALR](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ALR.svg) | 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 A1ALS](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ALS.svg) | 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 A1ALY](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ALY.svg) | 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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![A1AME A1AME](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AME.svg) | A1AME | Name: | 4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | Formula: | C22 H27 N5 O3 S | SMILES: | CCNC(=O)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C | InChi: | InChI=1S/C22H27N5O3S/c1-4-23-22(28)17-11-16-20(26-17)24-12-25-21(16)27-19(13(2)3)15-8-7-14-6-5-9-31(29,30)18(14)10-15/h7-8,10-13,19H,4-6,9H2,1-3H3,(H,23,28)(H2,24,25,26,27)/t19-/m0/s1 | Definition date: | 2024-04-11 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | 4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
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![A1AMF A1AMF](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AMF.svg) | A1AMF | Name: | 4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide | Formula: | C21 H25 N5 O3 S | SMILES: | CNC(=O)c1c[NH]c2ncnc(NC(c3ccc4CCCS(=O)(=O)c4c3)C(C)C)c12 | InChi: | InChI=1S/C21H25N5O3S/c1-12(2)18(14-7-6-13-5-4-8-30(28,29)16(13)9-14)26-20-17-15(21(27)22-3)10-23-19(17)24-11-25-20/h6-7,9-12,18H,4-5,8H2,1-3H3,(H,22,27)(H2,23,24,25,26)/t18-/m0/s1 | Definition date: | 2024-04-11 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | 4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide |
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