![J8J J8J](https://data.pdbj.org/pdbjplus/data/cc/svg/J8J.svg) | J8J | 表記: | 5-[(5-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide | 組成式: | C26 H23 N5 O4 | SMILES: | O=C(NC1COC1)c1cc2[NH]c(nc2cc1NC(=O)C1=CC(=CNC1=O)C1CC1)c1ccccc1 | InChi: | InChI=1S/C26H23N5O4/c32-24-19(8-16(11-27-24)14-6-7-14)26(34)31-20-10-22-21(9-18(20)25(33)28-17-12-35-13-17)29-23(30-22)15-4-2-1-3-5-15/h1-5,8-11,14,17H,6-7,12-13H2,(H,27,32)(H,28,33)(H,29,30)(H,31,34) | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 5-[(5-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide |
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![J9C J9C](https://data.pdbj.org/pdbjplus/data/cc/svg/J9C.svg) | J9C | 表記: | 6-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | 組成式: | C21 H19 N7 O | SMILES: | Cc1ccc(Nc2cncnc2)c(n1)C(=O)Nc1cc(C)nn1c1ccccc1 | InChi: | InChI=1S/C21H19N7O/c1-14-8-9-18(25-16-11-22-13-23-12-16)20(24-14)21(29)26-19-10-15(2)27-28(19)17-6-4-3-5-7-17/h3-13,25H,1-2H3,(H,26,29) | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 6-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide |
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![JAP JAP](https://data.pdbj.org/pdbjplus/data/cc/svg/JAP.svg) | JAP | 表記: | (4S)-2-(2-{3-[(3R)-3-fluoropyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine | 組成式: | C16 H21 F N8 | SMILES: | Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CC(F)CC1 | InChi: | InChI=1S/C16H21FN8/c1-10-8-18-11(2)15-19-13(21-25(10)15)4-5-14-20-16(22-23(14)3)24-7-6-12(17)9-24/h8,12H,4-7,9H2,1-3H3 | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | (4S)-2-(2-{3-[(3R)-3-fluoropyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine |
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![JBV JBV](https://data.pdbj.org/pdbjplus/data/cc/svg/JBV.svg) | JBV | 表記: | (4S)-2-(2-{3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine | 組成式: | C17 H22 F2 N8 | SMILES: | Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CC(CC1)C(F)F | InChi: | InChI=1S/C17H22F2N8/c1-10-8-20-11(2)16-21-13(23-27(10)16)4-5-14-22-17(24-25(14)3)26-7-6-12(9-26)15(18)19/h8,12,15H,4-7,9H2,1-3H3 | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | (4S)-2-(2-{3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine |
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![JCJ JCJ](https://data.pdbj.org/pdbjplus/data/cc/svg/JCJ.svg) | JCJ | 表記: | 3-[1-(3-bromophenyl)-1H-pyrazol-5-yl]-1-(pyridin-4-yl)pyridazin-4(1H)-one | 組成式: | C18 H12 Br N5 O | SMILES: | O=C1C=CN(N=C1c1ccnn1c1cc(Br)ccc1)c1ccncc1 | InChi: | InChI=1S/C18H12BrN5O/c19-13-2-1-3-15(12-13)24-16(6-10-21-24)18-17(25)7-11-23(22-18)14-4-8-20-9-5-14/h1-12H | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 3-[1-(3-bromophenyl)-1H-pyrazol-5-yl]-1-(pyridin-4-yl)pyridazin-4(1H)-one |
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![JCP JCP](https://data.pdbj.org/pdbjplus/data/cc/svg/JCP.svg) | JCP | 表記: | 6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | 組成式: | C20 H19 N7 O2 | SMILES: | O=C(Nc1cnccc1C(=O)NC)c1nc(ccc1Nc1cncnc1)C1CC1 | InChi: | InChI=1S/C20H19N7O2/c1-21-19(28)14-6-7-22-10-17(14)27-20(29)18-16(25-13-8-23-11-24-9-13)5-4-15(26-18)12-2-3-12/h4-12,25H,2-3H2,1H3,(H,21,28)(H,27,29) | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide |
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![9UH 9UH](https://data.pdbj.org/pdbjplus/data/cc/svg/9UH.svg) | 9UH | 表記: | (2R,5R,7R,8S,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione | 組成式: | C20 H24 N10 O13 P2 | SMILES: | Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)n1cnc2c1N=C(N)NC2=O | InChi: | InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13+,18-,19-/m1/s1 | 定義日: | 2021-10-27 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | (2R,5R,7R,8S,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione |
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![98L 98L](https://data.pdbj.org/pdbjplus/data/cc/svg/98L.svg) | 98L | 表記: | 3-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol | 組成式: | C19 H14 Cl N3 O S | SMILES: | Oc1cccc(c1)CNc1nc(Cl)nc2scc(c12)c1ccccc1 | InChi: | InChI=1S/C19H14ClN3OS/c20-19-22-17(21-10-12-5-4-8-14(24)9-12)16-15(11-25-18(16)23-19)13-6-2-1-3-7-13/h1-9,11,24H,10H2,(H,21,22,23) | 定義日: | 2021-10-05 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 3-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol |
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![KWF KWF](https://data.pdbj.org/pdbjplus/data/cc/svg/KWF.svg) | KWF | 表記: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one | 組成式: | C37 H35 N9 O13 P2 | SMILES: | NC1=NC(=O)c2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccc(cc7)c8ccc9ccccc9c8)c%10c(N)ncnc6%10)c2N1 | InChi: | InChI=1S/C37H35N9O13P2/c38-31-25-22(19-8-5-18(6-9-19)21-10-7-17-3-1-2-4-20(17)11-21)12-45(32(25)41-15-40-31)35-28(48)29-24(57-35)14-55-61(52,53)59-30-27(47)23(13-54-60(50,51)58-29)56-36(30)46-16-42-26-33(46)43-37(39)44-34(26)49/h1-12,15-16,23-24,27-30,35-36,47-48H,13-14H2,(H,50,51)(H,52,53)(H2,38,40,41)(H3,39,43,44,49)/t23-,24-,27-,28-,29-,30-,35-,36-/m1/s1 | 別名: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one | 定義日: | 2022-06-07 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one |
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![KWO KWO](https://data.pdbj.org/pdbjplus/data/cc/svg/KWO.svg) | KWO | 表記: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one | 組成式: | C33 H33 N9 O13 P2 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccc(cc7)c8ccccc8)c9c(N)ncnc69 | InChi: | InChI=1S/C33H33N9O13P2/c34-27-21-18(17-8-6-16(7-9-17)15-4-2-1-3-5-15)10-41(28(21)37-13-36-27)31-24(44)25-20(53-31)12-51-57(48,49)55-26-23(43)19(11-50-56(46,47)54-25)52-32(26)42-14-38-22-29(42)39-33(35)40-30(22)45/h1-10,13-14,19-20,23-26,31-32,43-44H,11-12H2,(H,46,47)(H,48,49)(H2,34,36,37)(H3,35,39,40,45)/t19-,20-,23-,24-,25-,26-,31-,32-/m1/s1 | 別名: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one | 定義日: | 2022-06-07 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one |
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![KXD KXD](https://data.pdbj.org/pdbjplus/data/cc/svg/KXD.svg) | KXD | 表記: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one | 組成式: | C38 H37 N9 O14 P2 | SMILES: | NC1=NC(=O)c2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccc(COc8cccc9ccccc89)cc7)c%10c(N)ncnc6%10)c2N1 | InChi: | InChI=1S/C38H37N9O14P2/c39-32-26-22(20-10-8-18(9-11-20)13-55-23-7-3-5-19-4-1-2-6-21(19)23)12-46(33(26)42-16-41-32)36-29(49)30-25(59-36)15-57-63(53,54)61-31-28(48)24(14-56-62(51,52)60-30)58-37(31)47-17-43-27-34(47)44-38(40)45-35(27)50/h1-12,16-17,24-25,28-31,36-37,48-49H,13-15H2,(H,51,52)(H,53,54)(H2,39,41,42)(H3,40,44,45,50)/t24-,25-,28-,29-,30-,31-,36-,37-/m1/s1 | 定義日: | 2022-06-07 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one |
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![JSF JSF](https://data.pdbj.org/pdbjplus/data/cc/svg/JSF.svg) | JSF | 表記: | 3,6-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carboxamide | 組成式: | C20 H17 N5 O | SMILES: | Cc1ccc(C)nc1C(=O)Nc1nc2nc(cn2cc1)c1ccccc1 | InChi: | InChI=1S/C20H17N5O/c1-13-8-9-14(2)21-18(13)19(26)23-17-10-11-25-12-16(22-20(25)24-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23,24,26) | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 3,6-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]pyridine-2-carboxamide |
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![JSM JSM](https://data.pdbj.org/pdbjplus/data/cc/svg/JSM.svg) | JSM | 表記: | N~4~,1-dimethyl-N~4~-[2-(methylamino)ethyl]-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide | 組成式: | C23 H25 N7 O2 | SMILES: | O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N(C)CCNC | InChi: | InChI=1S/C23H25N7O2/c1-24-10-12-28(2)23(32)18-14-25-29(3)21(18)22(31)26-17-9-11-30-15-19(27-20(30)13-17)16-7-5-4-6-8-16/h4-9,11,13-15,24H,10,12H2,1-3H3,(H,26,31) | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | N~4~,1-dimethyl-N~4~-[2-(methylamino)ethyl]-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide |
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![JSY JSY](https://data.pdbj.org/pdbjplus/data/cc/svg/JSY.svg) | JSY | 表記: | 6-methyl-N-(4-methylphenyl)pyrimidin-4-amine | 組成式: | C12 H13 N3 | SMILES: | Cc1cc(Nc2ccc(C)cc2)ncn1 | InChi: | InChI=1S/C12H13N3/c1-9-3-5-11(6-4-9)15-12-7-10(2)13-8-14-12/h3-8H,1-2H3,(H,13,14,15) | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 6-methyl-N-(4-methylphenyl)pyrimidin-4-amine |
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![JT9 JT9](https://data.pdbj.org/pdbjplus/data/cc/svg/JT9.svg) | JT9 | 表記: | 3-{2-[(4S)-6,8-dichloro-5-methyl[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl}quinoxalin-2(1H)-one | 組成式: | C17 H13 Cl2 N5 O | SMILES: | O=C1Nc2ccccc2N=C1CCc1nc2c(Cl)cc(Cl)c(C)n2n1 | InChi: | InChI=1S/C17H13Cl2N5O/c1-9-10(18)8-11(19)16-22-15(23-24(9)16)7-6-14-17(25)21-13-5-3-2-4-12(13)20-14/h2-5,8H,6-7H2,1H3,(H,21,25) | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 3-{2-[(4S)-6,8-dichloro-5-methyl[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl}quinoxalin-2(1H)-one |
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![JTL JTL](https://data.pdbj.org/pdbjplus/data/cc/svg/JTL.svg) | JTL | 表記: | N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide | 組成式: | C14 H11 N3 O S | SMILES: | O=C(NCc1cccs1)c1cc2nccnc2cc1 | InChi: | InChI=1S/C14H11N3OS/c18-14(17-9-11-2-1-7-19-11)10-3-4-12-13(8-10)16-6-5-15-12/h1-8H,9H2,(H,17,18) | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide |
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![JTX JTX](https://data.pdbj.org/pdbjplus/data/cc/svg/JTX.svg) | JTX | 表記: | (4S)-5-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-8-(trifluoromethyl)[1,2,4]triazolo[1,5-c]pyrimidine | 組成式: | C16 H19 F3 N8 | SMILES: | FC(F)(F)c1cnc(C)n2nc(nc12)CCc1nc(nn1C)N1CCCC1 | InChi: | InChI=1S/C16H19F3N8/c1-10-20-9-11(16(17,18)19)14-21-12(23-27(10)14)5-6-13-22-15(24-25(13)2)26-7-3-4-8-26/h9H,3-8H2,1-2H3 | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | (4S)-5-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-8-(trifluoromethyl)[1,2,4]triazolo[1,5-c]pyrimidine |
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![JU6 JU6](https://data.pdbj.org/pdbjplus/data/cc/svg/JU6.svg) | JU6 | 表記: | (8S)-5-[(3S)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine | 組成式: | C24 H26 F N7 O | SMILES: | FC1CCN(C1)c1cc(NC2CCOCC2)n2nc(cc2n1)c1nc2ccccc2nc1C | InChi: | InChI=1S/C24H26FN7O/c1-15-24(28-19-5-3-2-4-18(19)26-15)20-12-22-29-21(31-9-6-16(25)14-31)13-23(32(22)30-20)27-17-7-10-33-11-8-17/h2-5,12-13,16-17,27H,6-11,14H2,1H3 | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | (8S)-5-[(3S)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine |
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![JUC JUC](https://data.pdbj.org/pdbjplus/data/cc/svg/JUC.svg) | JUC | 表記: | (8R)-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-methyl-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine | 組成式: | C25 H28 F N7 O | SMILES: | CN(c1cc(nc2cc(nn12)c1nc2ccccc2nc1C)N1CCC(F)C1)C1CCOCC1 | InChi: | InChI=1S/C25H28FN7O/c1-16-25(28-20-6-4-3-5-19(20)27-16)21-13-23-29-22(32-10-7-17(26)15-32)14-24(33(23)30-21)31(2)18-8-11-34-12-9-18/h3-6,13-14,17-18H,7-12,15H2,1-2H3 | 定義日: | 2022-02-01 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | (8R)-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-methyl-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine |
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![JWC JWC](https://data.pdbj.org/pdbjplus/data/cc/svg/JWC.svg) | JWC | 表記: | 6-cyclopropyl-3-methoxy-N-{2-[3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl]ethyl}pyrazine-2-carboxamide | 組成式: | C18 H19 N7 O2 | SMILES: | COc1ncc(nc1C(=O)NCCc1nc(n[NH]1)c1cnccc1)C1CC1 | InChi: | InChI=1S/C18H19N7O2/c1-27-18-15(22-13(10-21-18)11-4-5-11)17(26)20-8-6-14-23-16(25-24-14)12-3-2-7-19-9-12/h2-3,7,9-11H,4-6,8H2,1H3,(H,20,26)(H,23,24,25) | 定義日: | 2022-02-02 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 6-cyclopropyl-3-methoxy-N-{2-[3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl]ethyl}pyrazine-2-carboxamide |
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![JWJ JWJ](https://data.pdbj.org/pdbjplus/data/cc/svg/JWJ.svg) | JWJ | 表記: | 7-[(3,5-dimethyl-4-propan-2-yloxy-pyridin-2-yl)methyl-oxidanyl-$l^{3}-sulfanyl]-8~{H}-imidazo[4,5-g][1,3]benzothiazole | 組成式: | C19 H20 N4 O2 S2 | SMILES: | CC(C)Oc1c(C)c(ncc1C)CS(=O)c1nc2ccc3ncsc3c2[NH]1 | InChi: | InChI=1S/C19H20N4O2S2/c1-10(2)25-17-11(3)7-20-15(12(17)4)8-27(24)19-22-13-5-6-14-18(16(13)23-19)26-9-21-14/h5-7,9-10H,8H2,1-4H3,(H,22,23)/t27-/m1/s1 | 定義日: | 2022-02-02 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 7-[(R)-{3,5-dimethyl-4-[(propan-2-yl)oxy]pyridin-2-yl}methanesulfinyl]-8H-imidazo[4,5-g][1,3]benzothiazole |
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![JWR JWR](https://data.pdbj.org/pdbjplus/data/cc/svg/JWR.svg) | JWR | 表記: | 2,3-dichloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide | 組成式: | C18 H11 Cl2 N5 O | SMILES: | Clc1nccc(c1Cl)C(=O)Nc1ccn2nc(nc2c1)c1ccccc1 | InChi: | InChI=1S/C18H11Cl2N5O/c19-15-13(6-8-21-16(15)20)18(26)22-12-7-9-25-14(10-12)23-17(24-25)11-4-2-1-3-5-11/h1-10H,(H,22,26) | 定義日: | 2022-02-02 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 2,3-dichloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide |
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![JX0 JX0](https://data.pdbj.org/pdbjplus/data/cc/svg/JX0.svg) | JX0 | 表記: | [1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl](piperidin-1-yl)methanone | 組成式: | C18 H18 Cl N3 O S | SMILES: | Clc1ccc(cc1)n1nc(C)c2cc(sc21)C(=O)N1CCCCC1 | InChi: | InChI=1S/C18H18ClN3OS/c1-12-15-11-16(17(23)21-9-3-2-4-10-21)24-18(15)22(20-12)14-7-5-13(19)6-8-14/h5-8,11H,2-4,9-10H2,1H3 | 定義日: | 2022-02-02 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | [1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl](piperidin-1-yl)methanone |
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![JX9 JX9](https://data.pdbj.org/pdbjplus/data/cc/svg/JX9.svg) | JX9 | 表記: | N-cyclohexyl-N-methyl-7H-purin-6-amine | 組成式: | C12 H17 N5 | SMILES: | CN(c1ncnc2nc[NH]c12)C1CCCCC1 | InChi: | InChI=1S/C12H17N5/c1-17(9-5-3-2-4-6-9)12-10-11(14-7-13-10)15-8-16-12/h7-9H,2-6H2,1H3,(H,13,14,15,16) | 定義日: | 2022-02-02 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | N-cyclohexyl-N-methyl-7H-purin-6-amine |
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![JXI JXI](https://data.pdbj.org/pdbjplus/data/cc/svg/JXI.svg) | JXI | 表記: | 1-methyl-6-{2-[(4R)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}-1,2,3,5-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | 組成式: | C18 H22 N6 O | SMILES: | CN1CC(N=C1CCC=1NC(=O)C=2CNN(C)C=2N=1)c1ccccc1 | InChi: | InChI=1S/C18H22N6O/c1-23-11-14(12-6-4-3-5-7-12)20-16(23)9-8-15-21-17-13(18(25)22-15)10-19-24(17)2/h3-7,14,19H,8-11H2,1-2H3,(H,21,22,25)/t14-/m0/s1 | 定義日: | 2022-02-02 | 最終更新日: | 2022-10-07 | 公開日: | 2022-10-12 | 識別子(ID): | 1-methyl-6-{2-[(4R)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}-1,2,3,5-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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