![J7I J7I](https://data.pdbj.org/pdbjplus/data/cc/svg/J7I.svg) | J7I | 表記: | 2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine | 組成式: | C29 H36 N8 O3 S2 | SMILES: | CCCN(c1scc(n1)c2nc(N)cc(N)n2)c3cc(ccc3C)c4ccc(c(OC)c4)[S](=O)(=O)N5CCN(C)CC5 | InChi: | InChI=1S/C29H36N8O3S2/c1-5-10-37(29-32-22(18-41-29)28-33-26(30)17-27(31)34-28)23-15-20(7-6-19(23)2)21-8-9-25(24(16-21)40-4)42(38,39)36-13-11-35(3)12-14-36/h6-9,15-18H,5,10-14H2,1-4H3,(H4,30,31,33,34) | 定義日: | 2022-04-25 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | 2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine |
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![J7W J7W](https://data.pdbj.org/pdbjplus/data/cc/svg/J7W.svg) | J7W | 表記: | N-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide | 組成式: | C27 H31 N9 O S | SMILES: | CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5nc(N)cc(N)n5)c3 | InChi: | InChI=1S/C27H31N9OS/c1-17-3-8-20(13-21(17)31-27-32-22(16-38-27)25-33-23(28)14-24(29)34-25)30-26(37)19-6-4-18(5-7-19)15-36-11-9-35(2)10-12-36/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,30,37)(H,31,32)(H4,28,29,33,34) | 定義日: | 2022-04-25 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | ~{N}-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
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![J98 J98](https://data.pdbj.org/pdbjplus/data/cc/svg/J98.svg) | J98 | 表記: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine | 組成式: | C29 H33 F3 N8 O2 S2 | SMILES: | CCCN(c1scc(n1)c2nc(N)cc(N)n2)c3cc(ccc3C)c4ccc(cc4C(F)(F)F)[S](=O)(=O)N5CCN(C)CC5 | InChi: | InChI=1S/C29H33F3N8O2S2/c1-4-9-40(28-35-23(17-43-28)27-36-25(33)16-26(34)37-27)24-14-19(6-5-18(24)2)21-8-7-20(15-22(21)29(30,31)32)44(41,42)39-12-10-38(3)11-13-39/h5-8,14-17H,4,9-13H2,1-3H3,(H4,33,34,36,37) | 定義日: | 2022-04-25 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine |
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![J9I J9I](https://data.pdbj.org/pdbjplus/data/cc/svg/J9I.svg) | J9I | 表記: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine | 組成式: | C26 H29 N7 S | SMILES: | CN1CCN(CC1)Cc2ccc(cc2)c3ccc(C)c(Nc4scc(n4)c5nccc(N)n5)c3 | InChi: | InChI=1S/C26H29N7S/c1-18-3-6-21(20-7-4-19(5-8-20)16-33-13-11-32(2)12-14-33)15-22(18)29-26-30-23(17-34-26)25-28-10-9-24(27)31-25/h3-10,15,17H,11-14,16H2,1-2H3,(H,29,30)(H2,27,28,31) | 定義日: | 2022-04-25 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | 4-(4-azanylpyrimidin-2-yl)-~{N}-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine |
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![JAQ JAQ](https://data.pdbj.org/pdbjplus/data/cc/svg/JAQ.svg) | JAQ | 表記: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-1,3-thiazol-2-amine | 組成式: | C27 H31 N7 S | SMILES: | CN1CCN(CC1)CCc2ccc(cc2)c3ccc(C)c(Nc4scc(n4)c5nccc(N)n5)c3 | InChi: | InChI=1S/C27H31N7S/c1-19-3-6-22(21-7-4-20(5-8-21)10-12-34-15-13-33(2)14-16-34)17-23(19)30-27-31-24(18-35-27)26-29-11-9-25(28)32-26/h3-9,11,17-18H,10,12-16H2,1-2H3,(H,30,31)(H2,28,29,32) | 定義日: | 2022-04-25 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | 4-(4-azanylpyrimidin-2-yl)-~{N}-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-1,3-thiazol-2-amine |
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![JCA JCA](https://data.pdbj.org/pdbjplus/data/cc/svg/JCA.svg) | JCA | 表記: | N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide | 組成式: | C27 H30 N8 O S | SMILES: | CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5nccc(N)n5)c3 | InChi: | InChI=1S/C27H30N8OS/c1-18-3-8-21(15-22(18)31-27-32-23(17-37-27)25-29-10-9-24(28)33-25)30-26(36)20-6-4-19(5-7-20)16-35-13-11-34(2)12-14-35/h3-10,15,17H,11-14,16H2,1-2H3,(H,30,36)(H,31,32)(H2,28,29,33) | 定義日: | 2022-04-25 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | ~{N}-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
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![JCM JCM](https://data.pdbj.org/pdbjplus/data/cc/svg/JCM.svg) | JCM | 表記: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-N-propyl-1,3-thiazol-2-amine | 組成式: | C30 H37 N7 S | SMILES: | CCCN(c1scc(n1)c2nccc(N)n2)c3cc(ccc3C)c4ccc(CCN5CCN(C)CC5)cc4 | InChi: | InChI=1S/C30H37N7S/c1-4-14-37(30-33-26(21-38-30)29-32-13-11-28(31)34-29)27-20-25(8-5-22(27)2)24-9-6-23(7-10-24)12-15-36-18-16-35(3)17-19-36/h5-11,13,20-21H,4,12,14-19H2,1-3H3,(H2,31,32,34) | 定義日: | 2022-04-25 | 最終更新日: | 2023-06-02 | 公開日: | 2023-06-07 | 識別子(ID): | 4-(4-azanylpyrimidin-2-yl)-~{N}-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-~{N}-propyl-1,3-thiazol-2-amine |
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![0IF 0IF](https://data.pdbj.org/pdbjplus/data/cc/svg/0IF.svg) | 0IF | 表記: | 2-amino-6-fluorobenzonitrile | 組成式: | C7 H5 F N2 | SMILES: | N#Cc1c(F)cccc1N | InChi: | InChI=1S/C7H5FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2 | 定義日: | 2021-06-09 | 最終更新日: | 2023-05-31 | 公開日: | 2023-05-31 | 識別子(ID): | 2-amino-6-fluorobenzonitrile |
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![WZW WZW](https://data.pdbj.org/pdbjplus/data/cc/svg/WZW.svg) | WZW | 表記: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[2-azanyl-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]phosphinic acid | 組成式: | C23 H30 N13 O13 P2 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)n4cc[n](c4N)[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)[CH](O)[CH]3O | InChi: | InChI=1S/C23H30N13O13P2/c24-16-10-17(28-5-27-16)33(6-29-10)20-14(39)12(37)8(48-20)3-46-50(42,43)35-1-2-36(23(35)26)51(44,45)47-4-9-13(38)15(40)21(49-9)34-7-30-11-18(34)31-22(25)32-19(11)41/h1-2,5-9,12-15,20-21,37-40H,3-4,26H2,(H,42,43)(H,44,45)(H2,24,27,28)(H3,25,31,32,41)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1 | 定義日: | 2023-05-25 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[2-azanyl-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]phosphinic acid |
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![W15 W15](https://data.pdbj.org/pdbjplus/data/cc/svg/W15.svg) | W15 | 表記: | 2-(2-chloro-6-fluorophenyl)ethan-1-amine | 組成式: | C8 H9 Cl F N | SMILES: | Clc1cccc(F)c1CCN | InChi: | InChI=1S/C8H9ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2 | 定義日: | 2022-08-03 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 2-(2-chloro-6-fluorophenyl)ethan-1-amine |
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![T7R T7R](https://data.pdbj.org/pdbjplus/data/cc/svg/T7R.svg) | T7R | 表記: | tungsten cofactor | 組成式: | C20 H24 N10 O14 P2 S4 W | SMILES: | NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(O)=O)C4=C3S[W]5(=O)(=O)(S4)SC6=C(S5)[CH]7NC8=C(N[CH]7O[CH]6CO[P](O)(O)=O)N=C(N)NC8=O)C(=O)N1 | InChi: | InChI=1S/2C10H14N5O6PS2.2O.W/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19 | 別名: | [(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-8-(phosphonooxymethyl)-6-sulfanyl-3,4~{a},5,5~{a},8,9~{a}-hexahydropyrano[3,2-g]pteridin-7-yl]sulfanyl-[[(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-8-(phosphonooxymethyl)-7-sulfanyl-3,5,5~{a},6,7,8,9~{a},10-octahydropyrano[3,2-g]pteridin-6-yl]sulfanyl]-bis($l^{1}-oxidanyl)tungsten | 定義日: | 2022-12-22 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | [(1~{R},1'~{R},10~{R},10'~{R},16~{R},16'~{R})-5,5'-bis(azanyl)-7,7',13,13-tetrakis(oxidanylidene)-16'-(phosphonooxymethyl)-13,13'-spirobi[17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{8}-tungstatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,11(15)-triene]-16-yl]methyl dihydrogen phosphate |
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![K7P K7P](https://data.pdbj.org/pdbjplus/data/cc/svg/K7P.svg) | K7P | 表記: | 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide | 組成式: | C12 H17 N O7 S2 | SMILES: | N[S](=O)(=O)c1ccc(S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1 | InChi: | InChI=1S/C12H17NO7S2/c13-22(18,19)7-3-1-6(2-4-7)21-12-11(17)10(16)9(15)8(5-14)20-12/h1-4,8-12,14-17H,5H2,(H2,13,18,19)/t8-,9-,10+,11-,12+/m1/s1 | 別名: | 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide | 定義日: | 2022-05-19 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide |
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![XKN XKN](https://data.pdbj.org/pdbjplus/data/cc/svg/XKN.svg) | XKN | 表記: | 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride | 組成式: | C30 H29 F N4 O4 S | SMILES: | COc1ccccc1Cn1cnc2cc(ccc12)C(=O)N1CCN(Cc2cc(cc(C#C)c2)S(F)(=O)=O)CC1C | InChi: | InChI=1S/C30H29FN4O4S/c1-4-22-13-23(15-26(14-22)40(31,37)38)18-33-11-12-35(21(2)17-33)30(36)24-9-10-28-27(16-24)32-20-34(28)19-25-7-5-6-8-29(25)39-3/h1,5-10,13-16,20-21H,11-12,17-19H2,2-3H3/t21-/m1/s1 | 定義日: | 2022-11-23 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride |
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![U30 U30](https://data.pdbj.org/pdbjplus/data/cc/svg/U30.svg) | U30 | 表記: | 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile | 組成式: | C23 H22 N8 O | SMILES: | Cc1c(cccc1c2cc(nc(N)n2)c3cn(Cc4cccc(n4)C(C)(C)O)nn3)C#N | InChi: | InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28) | 定義日: | 2023-01-23 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile |
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![P7W P7W](https://data.pdbj.org/pdbjplus/data/cc/svg/P7W.svg) | P7W | 表記: | pentane-1,3,5-tricarboxylic acid | 組成式: | C8 H12 O6 | SMILES: | OC(=O)CCC(CCC(O)=O)C(O)=O | InChi: | InChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14) | 定義日: | 2022-10-03 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | pentane-1,3,5-tricarboxylic acid |
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![U43 U43](https://data.pdbj.org/pdbjplus/data/cc/svg/U43.svg) | U43 | 表記: | N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine | 組成式: | C8 H9 F3 N2 | SMILES: | Nc1cc(ccc1NC)C(F)(F)F | InChi: | InChI=1S/C8H9F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4,13H,12H2,1H3 | 定義日: | 2022-08-03 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine |
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![U4D U4D](https://data.pdbj.org/pdbjplus/data/cc/svg/U4D.svg) | U4D | 表記: | 5-(trifluoromethyl)pyridin-2-one | 組成式: | C6 H4 F3 N O | SMILES: | FC(F)(F)c1cnc(O)cc1 | InChi: | InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11) | 定義日: | 2022-08-03 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 5-(trifluoromethyl)pyridin-2-ol |
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![WRF WRF](https://data.pdbj.org/pdbjplus/data/cc/svg/WRF.svg) | WRF | 表記: | 1-methyl-4-phenylpyridin-1-ium | 組成式: | C12 H12 N | SMILES: | C[n+]1ccc(cc1)c1ccccc1 | InChi: | InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1 | 定義日: | 2022-10-17 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 1-methyl-4-phenylpyridin-1-ium |
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![XOF XOF](https://data.pdbj.org/pdbjplus/data/cc/svg/XOF.svg) | XOF | 表記: | 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide | 組成式: | C25 H24 Cl N3 O4 S | SMILES: | CCN(c1ccccc1)S(=O)(=O)c1cc(c(Cl)cc1)C(=O)Nc1ccccc1N1CCCC1=O | InChi: | InChI=1S/C25H24ClN3O4S/c1-2-29(18-9-4-3-5-10-18)34(32,33)19-14-15-21(26)20(17-19)25(31)27-22-11-6-7-12-23(22)28-16-8-13-24(28)30/h3-7,9-12,14-15,17H,2,8,13,16H2,1H3,(H,27,31) | 定義日: | 2022-12-02 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide |
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![XOL XOL](https://data.pdbj.org/pdbjplus/data/cc/svg/XOL.svg) | XOL | 表記: | (2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide | 組成式: | C21 H20 N6 O S | SMILES: | O=C(Nc1nccs1)c1cccc2[NH]c(nc12)c1ccccc1N1CCNCC1 | InChi: | InChI=1S/C21H20N6OS/c28-20(26-21-23-10-13-29-21)15-5-3-6-16-18(15)25-19(24-16)14-4-1-2-7-17(14)27-11-8-22-9-12-27/h1-7,10,13,22H,8-9,11-12H2,(H,24,25)(H,23,26,28) | 定義日: | 2022-12-03 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | (2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide |
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![WBN WBN](https://data.pdbj.org/pdbjplus/data/cc/svg/WBN.svg) | WBN | 表記: | (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide | 組成式: | C22 H22 N4 O3 S | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN(C3=O)c4ccccn4)cc2 | InChi: | InChI=1S/C22H22N4O3S/c1-14-20(30-13-25-14)16-7-5-15(6-8-16)11-24-21(28)18-10-17(27)12-26(22(18)29)19-4-2-3-9-23-19/h2-9,13,17-18,27H,10-12H2,1H3,(H,24,28)/t17-,18-/m1/s1 | 定義日: | 2023-05-10 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide |
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![R7W R7W](https://data.pdbj.org/pdbjplus/data/cc/svg/R7W.svg) | R7W | 表記: | (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione | 組成式: | C13 H8 N2 O2 S | SMILES: | O=C1NC(=O)C(S1)=Cc2ccc3ncccc3c2 | InChi: | InChI=1S/C13H8N2O2S/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7- | 定義日: | 2020-09-17 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione |
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![QT9 QT9](https://data.pdbj.org/pdbjplus/data/cc/svg/QT9.svg) | QT9 | 表記: | 2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one | 組成式: | C31 H34 N8 O3 | SMILES: | COc1ccccc1N2N(c3cccc(n3)C(C)(C)O)c4nc(Nc5ccc(cc5)N6CCN(C)CC6)ncc4C2=O | InChi: | InChI=1S/C31H34N8O3/c1-31(2,41)26-10-7-11-27(34-26)39-28-23(29(40)38(39)24-8-5-6-9-25(24)42-4)20-32-30(35-28)33-21-12-14-22(15-13-21)37-18-16-36(3)17-19-37/h5-15,20,41H,16-19H2,1-4H3,(H,32,33,35) | 定義日: | 2022-11-14 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one |
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![KQC KQC](https://data.pdbj.org/pdbjplus/data/cc/svg/KQC.svg) | KQC | 表記: | (2R,3R,4R,5S,6R)-5-fluoranyl-6-(hydroxymethyl)oxane-2,3,4-triol | 組成式: | C6 H11 F O5 | SMILES: | OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1F | InChi: | InChI=1S/C6H11FO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 | 定義日: | 2022-10-06 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | (2~{R},3~{R},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)oxane-2,3,4-triol |
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![QXZ QXZ](https://data.pdbj.org/pdbjplus/data/cc/svg/QXZ.svg) | QXZ | 表記: | 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine | 組成式: | C23 H22 N6 O3 | SMILES: | COc1cc(Nc2ncc3n(n2)c(nc3C)c4[nH]c5ccccc5c4)cc(OC)c1OC | InChi: | InChI=1S/C23H22N6O3/c1-13-18-12-24-23(26-15-10-19(30-2)21(32-4)20(11-15)31-3)28-29(18)22(25-13)17-9-14-7-5-6-8-16(14)27-17/h5-12,27H,1-4H3,(H,26,28) | 定義日: | 2020-08-20 | 最終更新日: | 2023-05-26 | 公開日: | 2023-05-31 | 識別子(ID): | 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine |
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