![VK2 VK2](https://data.pdbj.org/pdbjplus/data/cc/svg/VK2.svg) | VK2 | 表記: | 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile | 組成式: | C24 H22 N8 O | SMILES: | CN(Cc1ccc2nccn2c1)c3oc(nn3)c4ccc(cc4C)c5c(C)nn(C)c5C#N | InChi: | InChI=1S/C24H22N8O/c1-15-11-18(22-16(2)29-31(4)20(22)12-25)6-7-19(15)23-27-28-24(33-23)30(3)13-17-5-8-21-26-9-10-32(21)14-17/h5-11,14H,13H2,1-4H3 | 定義日: | 2021-05-20 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile |
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![VK5 VK5](https://data.pdbj.org/pdbjplus/data/cc/svg/VK5.svg) | VK5 | 表記: | ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine | 組成式: | C32 H35 N9 O | SMILES: | CN(C)Cc1ccc(cc1)c2cnc3ccc(CN(C)c4oc(nn4)c5ncc(cc5C)c6c(C)nn(C)c6C)cn23 | InChi: | InChI=1S/C32H35N9O/c1-20-14-26(29-21(2)37-40(7)22(29)3)15-34-30(20)31-35-36-32(42-31)39(6)18-24-10-13-28-33-16-27(41(28)19-24)25-11-8-23(9-12-25)17-38(4)5/h8-16,19H,17-18H2,1-7H3 | 定義日: | 2021-05-20 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine |
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![ZJS ZJS](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJS.svg) | ZJS | 表記: | N-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate) | 組成式: | C15 H22 N5 O7 P | SMILES: | C/C(C)=CCNc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O | InChi: | InChI=1S/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1 | 定義日: | 2021-04-30 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | N-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate) |
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![YXG YXG](https://data.pdbj.org/pdbjplus/data/cc/svg/YXG.svg) | YXG | 表記: | Milvexian | 組成式: | C28 H23 Cl2 F2 N9 O2 | SMILES: | Clc1cn(nn1)c1ccc(Cl)cc1C=1N=CN(C(=O)C=1)C1CCCC(C)C(=O)Nc2cnn(C(F)F)c2c2cc1ncc2 | InChi: | InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1 | 別名: | BMS-986177 | 定義日: | 2021-04-05 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | (6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6-oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11-(metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one |
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![VKQ VKQ](https://data.pdbj.org/pdbjplus/data/cc/svg/VKQ.svg) | VKQ | 表記: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide | 組成式: | C23 H27 N5 O2 | SMILES: | CCC1=Cc2ccc(CN3CCN(CC3)c4ccc(nc4)C(=O)NC)cc2NC1=O | InChi: | InChI=1S/C23H27N5O2/c1-3-17-13-18-5-4-16(12-21(18)26-22(17)29)15-27-8-10-28(11-9-27)19-6-7-20(25-14-19)23(30)24-2/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,24,30)(H,26,29) | 定義日: | 2021-05-26 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide |
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![VKT VKT](https://data.pdbj.org/pdbjplus/data/cc/svg/VKT.svg) | VKT | 表記: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one | 組成式: | C21 H27 N5 O | SMILES: | CCC1=Cc2ccc(CN3CCN(CC3)c4ncc(C)n4C)cc2NC1=O | InChi: | InChI=1S/C21H27N5O/c1-4-17-12-18-6-5-16(11-19(18)23-20(17)27)14-25-7-9-26(10-8-25)21-22-13-15(2)24(21)3/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,23,27) | 定義日: | 2021-05-26 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one |
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![VKW VKW](https://data.pdbj.org/pdbjplus/data/cc/svg/VKW.svg) | VKW | 表記: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one | 組成式: | C20 H25 Cl N6 O | SMILES: | Cn1c(C)cnc1N2CCN(CCCC3=Nc4c(Cl)cccc4C(=O)N3)CC2 | InChi: | InChI=1S/C20H25ClN6O/c1-14-13-22-20(25(14)2)27-11-9-26(10-12-27)8-4-7-17-23-18-15(19(28)24-17)5-3-6-16(18)21/h3,5-6,13H,4,7-12H2,1-2H3,(H,23,24,28) | 定義日: | 2021-05-26 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one |
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![ZL5 ZL5](https://data.pdbj.org/pdbjplus/data/cc/svg/ZL5.svg) | ZL5 | 表記: | 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole | 組成式: | C18 H14 F4 N6 | SMILES: | Cn1nc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c3cccc(C)c23)nn1 | InChi: | InChI=1S/C18H14F4N6/c1-10-4-3-5-12-16(13-8-11(18(20,21)22)6-7-14(13)19)25-28(17(10)12)9-15-23-26-27(2)24-15/h3-8H,9H2,1-2H3 | 定義日: | 2021-07-21 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole |
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![G60 G60](https://data.pdbj.org/pdbjplus/data/cc/svg/G60.svg) | G60 | 表記: | 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine | 組成式: | C11 H13 Cl N2 | SMILES: | Cc1[nH]c2ccc(Cl)cc2c1CCN | InChi: | InChI=1S/C11H13ClN2/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3 | 定義日: | 2020-07-30 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | 2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)ethanamine |
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![TW8 TW8](https://data.pdbj.org/pdbjplus/data/cc/svg/TW8.svg) | TW8 | 表記: | 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde | 組成式: | C15 H14 N2 O3 S | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCNc3ccccc23 | InChi: | InChI=1S/C15H14N2O3S/c18-11-12-5-7-13(8-6-12)21(19,20)17-10-9-16-14-3-1-2-4-15(14)17/h1-8,11,16H,9-10H2 | 定義日: | 2021-01-14 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde |
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![TZK TZK](https://data.pdbj.org/pdbjplus/data/cc/svg/TZK.svg) | TZK | 表記: | 4-(4-methylphenyl)sulfonylmorpholine | 組成式: | C11 H15 N O3 S | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N2CCOCC2 | InChi: | InChI=1S/C11H15NO3S/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3 | 定義日: | 2021-01-14 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | 4-(4-methylphenyl)sulfonylmorpholine |
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![UCW UCW](https://data.pdbj.org/pdbjplus/data/cc/svg/UCW.svg) | UCW | 表記: | tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate | 組成式: | C26 H38 N8 O3 | SMILES: | COc1cc(ccc1NC(=O)OC(C)(C)C)c2nn(CCN3CCC(CC3)N(C)C)c4ncnc(N)c24 | InChi: | InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29) | 別名: | ~{tert}-butyl ~{N}-[4-[4-azanyl-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]carbamate | 定義日: | 2021-02-10 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | ~{tert}-butyl ~{N}-[4-[4-azanyl-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]carbamate |
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![4E0 4E0](https://data.pdbj.org/pdbjplus/data/cc/svg/4E0.svg) | 4E0 | 表記: | 1-[butyl(fluoranyl)phosphoryl]oxyhexadecane | 組成式: | C20 H42 F O2 P | SMILES: | CCCCCCCCCCCCCCCCO[P](F)(=O)CCCC | InChi: | InChI=1S/C20H42FO2P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24(21,22)20-6-4-2/h3-20H2,1-2H3/t24-/m0/s1 | 定義日: | 2021-07-01 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | 1-[butyl(fluoranyl)phosphoryl]oxyhexadecane |
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![0RI 0RI](https://data.pdbj.org/pdbjplus/data/cc/svg/0RI.svg) | 0RI | 表記: | Orladeyo | 組成式: | C30 H26 F4 N6 O | SMILES: | N#Cc1cccc(c1)C(NCC1CC1)c1cc(NC(=O)c2cc(nn2c2cccc(CN)c2)C(F)(F)F)c(F)cc1 | InChi: | InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1 | 別名: | 1-[3-(aminomethyl)phenyl]-N-(5-{(R)-[3-(aminomethyl)phenyl][(cyclopropylmethyl)amino]methyl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | 定義日: | 2021-06-14 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | 1-[3-(aminomethyl)phenyl]-N-(5-{(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide |
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![H5L H5L](https://data.pdbj.org/pdbjplus/data/cc/svg/H5L.svg) | H5L | 表記: | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate | 組成式: | C30 H42 N7 O19 P3 S | SMILES: | CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(O)c(O)c4 | InChi: | InChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/b6-4+/t19-,23-,24-,25+,29-/m1/s1 | 別名: | Caffeoyl-CoA | 定義日: | 2020-11-13 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{E})-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate |
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![H8C H8C](https://data.pdbj.org/pdbjplus/data/cc/svg/H8C.svg) | H8C | 表記: | 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one | 組成式: | C24 H20 N2 O2 | SMILES: | C[CH](N1C(=O)c2cccc3c(ccc1c23)c4c(C)onc4C)c5ccccc5 | InChi: | InChI=1S/C24H20N2O2/c1-14-22(16(3)28-25-14)19-12-13-21-23-18(19)10-7-11-20(23)24(27)26(21)15(2)17-8-5-4-6-9-17/h4-13,15H,1-3H3/t15-/m1/s1 | 定義日: | 2020-11-24 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1~{R})-1-phenylethyl]benzo[cd]indol-2-one |
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![5ZL 5ZL](https://data.pdbj.org/pdbjplus/data/cc/svg/5ZL.svg) | 5ZL | 表記: | [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanyl-4-phosphonooxy-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | 組成式: | C9 H17 N2 O18 P4 | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[n+]2ccc(O[P](O)(O)=O)nc2O | InChi: | InChI=1S/C9H16N2O18P4/c12-6-4(3-25-32(21,22)29-33(23,24)28-31(18,19)20)26-8(7(6)13)11-2-1-5(10-9(11)14)27-30(15,16)17/h1-2,4,6-8,12-13H,3H2,(H6,15,16,17,18,19,20,21,22,23,24)/p+1/t4-,6-,7-,8-/m1/s1 | 定義日: | 2021-09-07 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanyl-4-phosphonooxy-pyrimidin-1-ium-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![5IB 5IB](https://data.pdbj.org/pdbjplus/data/cc/svg/5IB.svg) | 5IB | 表記: | ~{N}-[2-methoxy-5-(oxidanylcarbamoyl)phenyl]dibenzofuran-4-carboxamide | 組成式: | C21 H16 N2 O5 | SMILES: | COc1ccc(cc1NC(=O)c2cccc3c2oc4ccccc34)C(=O)NO | InChi: | InChI=1S/C21H16N2O5/c1-27-18-10-9-12(20(24)23-26)11-16(18)22-21(25)15-7-4-6-14-13-5-2-3-8-17(13)28-19(14)15/h2-11,26H,1H3,(H,22,25)(H,23,24) | 定義日: | 2021-07-09 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | ~{N}-[2-methoxy-5-(oxidanylcarbamoyl)phenyl]dibenzofuran-4-carboxamide |
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![860 860](https://data.pdbj.org/pdbjplus/data/cc/svg/860.svg) | 860 | 表記: | 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide | 組成式: | C17 H13 Cl N2 O | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C17H13ClN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h1-8,10-11H,9H2,(H,20,21) | 定義日: | 2021-09-08 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide |
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![87H 87H](https://data.pdbj.org/pdbjplus/data/cc/svg/87H.svg) | 87H | 表記: | (2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide | 組成式: | C18 H15 F N2 O | SMILES: | Fc1cccc(c1)C(C)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C18H15FN2O/c1-12(13-6-4-7-15(19)9-13)18(22)21-17-11-20-10-14-5-2-3-8-16(14)17/h2-12H,1H3,(H,21,22)/t12-/m1/s1 | 定義日: | 2021-09-09 | 最終更新日: | 2021-09-10 | 公開日: | 2021-09-15 | 識別子(ID): | (2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide |
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![UJK UJK](https://data.pdbj.org/pdbjplus/data/cc/svg/UJK.svg) | UJK | 表記: | 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid | 組成式: | C10 H9 N3 O2 | SMILES: | Cc1ccccc1n2cc(nn2)C(O)=O | InChi: | InChI=1S/C10H9N3O2/c1-7-4-2-3-5-9(7)13-6-8(10(14)15)11-12-13/h2-6H,1H3,(H,14,15) | 別名: | 1-o-tolyl-1H-[1,2,3]triazole-4-carboxylic acid, 1-(2-methylphenyl)triazole-4-carboxylic acid, Z2327226104 | 定義日: | 2021-02-24 | 最終更新日: | 2021-09-08 | 公開日: | 2021-04-07 | 識別子(ID): | 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid |
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![NCF NCF](https://data.pdbj.org/pdbjplus/data/cc/svg/NCF.svg) | NCF | 表記: | (2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID | 組成式: | C13 H14 N2 O5 S2 | SMILES: | S1CCC(C(O)=O)=NC1C(C=O)NC(=O)Cc2cccs2 | InChi: | InChI=1S/C13H14N2O5S2/c16-9(6-7-2-1-4-21-7)15-10(13(19)20)11-14-8(12(17)18)3-5-22-11/h1-2,4,10-11H,3,5-6H2,(H,15,16)(H,17,18)(H,19,20)/t10-,11+/m0/s1 | 別名: | NITROCEFIN, open form without dinitrophenyl-ethenyl group | 定義日: | 2004-10-01 | 最終更新日: | 2021-09-06 | 識別子(ID): | (2R)-2-[(1R)-2-oxo-1-{[(thiophen-2-yl)acetyl]amino}ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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![NEF NEF](https://data.pdbj.org/pdbjplus/data/cc/svg/NEF.svg) | NEF | 表記: | Nitrocefin - open form | 組成式: | C21 H18 N4 O9 S2 | SMILES: | OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C(O)=O | InChi: | InChI=1S/C21H18N4O9S2/c26-16(9-14-2-1-7-35-14)22-18(21(29)30)19-23-17(20(27)28)12(10-36-19)4-3-11-5-6-13(24(31)32)8-15(11)25(33)34/h1-8,18-19,23H,9-10H2,(H,22,26)(H,27,28)(H,29,30)/b4-3+/t18-,19+/m0/s1 | 別名: | (2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | 定義日: | 2018-09-26 | 最終更新日: | 2021-09-06 | 公開日: | 2019-10-23 | 識別子(ID): | (2~{R})-5-[(~{E})-2-(2,4-dinitrophenyl)ethenyl]-2-[(1~{R})-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid |
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![VNS VNS](https://data.pdbj.org/pdbjplus/data/cc/svg/VNS.svg) | VNS | 表記: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide | 組成式: | C31 H29 F N4 O3 S | SMILES: | O=C(Nc1nccs1)C(c2cc(F)ccc2O)N6C(c3c(ccc(c3)c4ccc(cc4)C5CCN(C)CC5)C6)=O | InChi: | InChI=1S/C31H29FN4O3S/c1-35-13-10-21(11-14-35)19-2-4-20(5-3-19)22-6-7-23-18-36(30(39)25(23)16-22)28(26-17-24(32)8-9-27(26)37)29(38)34-31-33-12-15-40-31/h2-9,12,15-17,21,28,37H,10-11,13-14,18H2,1H3,(H,33,34,38)/t28-/m1/s1 | 定義日: | 2020-08-31 | 最終更新日: | 2021-09-03 | 公開日: | 2021-09-08 | 識別子(ID): | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide |
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![VO7 VO7](https://data.pdbj.org/pdbjplus/data/cc/svg/VO7.svg) | VO7 | 表記: | N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide | 組成式: | C27 H31 N7 O2 | SMILES: | c1c(NC([C@H]=C)=O)c(cc(c1Nc4nc(c2c3c(nc2)cccc3)ccn4)OC)N(C)CCN(C)C | InChi: | InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32) | 別名: | AZ5104 | 定義日: | 2020-08-31 | 最終更新日: | 2021-09-03 | 公開日: | 2021-09-08 | 識別子(ID): | N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide |
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