![Q6K Q6K](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6K.svg) | Q6K | 表記: | ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide | 組成式: | C28 H35 N7 O2 | SMILES: | CCC(=O)Nc1cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C | InChi: | InChI=1S/C28H35N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h8-13,16-18H,7,14-15H2,1-6H3,(H,30,36)(H,29,31,32) | 定義日: | 2020-05-25 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide |
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![QKJ QKJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QKJ.svg) | QKJ | 表記: | 3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid | 組成式: | C18 H24 N4 O4 | SMILES: | c1ccc(CCC(=O)O)cc1OCCCOc2c(CC)nc(nc2N)N | InChi: | InChI=1S/C18H24N4O4/c1-2-14-16(17(19)22-18(20)21-14)26-10-4-9-25-13-6-3-5-12(11-13)7-8-15(23)24/h3,5-6,11H,2,4,7-10H2,1H3,(H,23,24)(H4,19,20,21,22) | 定義日: | 2019-11-06 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid |
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![C5F C5F](https://data.pdbj.org/pdbjplus/data/cc/svg/C5F.svg) | C5F | 表記: | 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid | 組成式: | C13 H14 Cl2 O3 | SMILES: | C1(C(Cl)(C1)Cl)c2ccc(cc2)OC(C(=O)O)(C)C | InChi: | InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1 | 定義日: | 2019-01-23 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid |
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![CD0 CD0](https://data.pdbj.org/pdbjplus/data/cc/svg/CD0.svg) | CD0 | 表記: | 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol | 組成式: | C21 H32 O2 | SMILES: | c1(c(c(O)cc(c1)CCCCC)C2C(CCC(C2)C)/C(C)=C)O | InChi: | InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,15,17-18,22-23H,2,5-11H2,1,3-4H3/t15-,17-,18+/m0/s1 | 定義日: | 2018-05-09 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol |
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![F80 F80](https://data.pdbj.org/pdbjplus/data/cc/svg/F80.svg) | F80 | 表記: | N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine | 組成式: | C19 H25 N5 O | SMILES: | CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1 | InChi: | InChI=1S/C19H25N5O/c1-13-11-18(20-2)24-19(22-13)23-15-6-7-17(25-3)16(12-15)14-5-4-9-21-10-8-14/h6-8,11-12,21H,4-5,9-10H2,1-3H3,(H2,20,22,23,24) | 定義日: | 2020-04-08 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | ~{N}2-[4-methoxy-3-(2,3,4,7-tetrahydro-1~{H}-azepin-5-yl)phenyl]-~{N}4,6-dimethyl-pyrimidine-2,4-diamine |
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![H3U H3U](https://data.pdbj.org/pdbjplus/data/cc/svg/H3U.svg) | H3U | 表記: | 8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid | 組成式: | C25 H21 N3 O11 S3 | SMILES: | Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O | InChi: | InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39) | 定義日: | 2020-11-02 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid |
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![E0O E0O](https://data.pdbj.org/pdbjplus/data/cc/svg/E0O.svg) | E0O | 表記: | 2-(4-chloranylphenoxy)-2-methyl-propanoic acid | 組成式: | C10 H11 Cl O3 | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(O)=O | InChi: | InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13) | 定義日: | 2019-09-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 2-(4-chloranylphenoxy)-2-methyl-propanoic acid |
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![EA6 EA6](https://data.pdbj.org/pdbjplus/data/cc/svg/EA6.svg) | EA6 | 表記: | 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine | 組成式: | C14 H19 Cl F N5 O2 | SMILES: | CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl | InChi: | InChI=1S/C14H19ClFN5O2/c1-14(2)20-12(17)19-13(18)21(14)23-7-3-6-22-11-5-4-9(16)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H4,17,18,19,20) | 定義日: | 2019-11-28 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine |
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![EWL EWL](https://data.pdbj.org/pdbjplus/data/cc/svg/EWL.svg) | EWL | 表記: | 6-azanyl-2-butoxy-9-(phenylmethyl)-7H-purin-8-one | 組成式: | C16 H19 N5 O2 | SMILES: | CCCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1 | InChi: | InChI=1S/C16H19N5O2/c1-2-3-9-23-15-19-13(17)12-14(20-15)21(16(22)18-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,22)(H2,17,19,20) | 定義日: | 2020-02-13 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 6-azanyl-2-butoxy-9-(phenylmethyl)-7~{H}-purin-8-one |
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![EWR EWR](https://data.pdbj.org/pdbjplus/data/cc/svg/EWR.svg) | EWR | 表記: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid | 組成式: | C25 H29 N O4 S | SMILES: | CCO[CH](Cc1ccc(OCCn2c(C)ccc2c3ccc(SC)cc3)cc1)C(O)=O | InChi: | InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1 | 定義日: | 2020-02-13 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | (2~{S})-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid |
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![EWU EWU](https://data.pdbj.org/pdbjplus/data/cc/svg/EWU.svg) | EWU | 表記: | 6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7H-purin-8-one | 組成式: | C15 H17 N5 O3 | SMILES: | COCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1 | InChi: | InChI=1S/C15H17N5O3/c1-22-7-8-23-14-18-12(16)11-13(19-14)20(15(21)17-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)(H2,16,18,19) | 定義日: | 2020-02-13 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7~{H}-purin-8-one |
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![EWX EWX](https://data.pdbj.org/pdbjplus/data/cc/svg/EWX.svg) | EWX | 表記: | 6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7H-purin-8-one | 組成式: | C14 H16 N6 O3 | SMILES: | COCCOc1nc(N)c2NC(=O)N(Cc3cccnc3)c2n1 | InChi: | InChI=1S/C14H16N6O3/c1-22-5-6-23-13-18-11(15)10-12(19-13)20(14(21)17-10)8-9-3-2-4-16-7-9/h2-4,7H,5-6,8H2,1H3,(H,17,21)(H2,15,18,19) | 定義日: | 2020-02-13 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7~{H}-purin-8-one |
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![EX0 EX0](https://data.pdbj.org/pdbjplus/data/cc/svg/EX0.svg) | EX0 | 表記: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine | 組成式: | C26 H29 F N8 O | SMILES: | CCOc1nc(N)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6 | InChi: | InChI=1S/C26H29FN8O/c1-3-36-26-31-23(28)22-25(32-26)35(24(30-22)18-8-19(27)11-29-10-18)13-17-6-4-16(5-7-17)12-34-15-20-9-21(34)14-33(20)2/h4-8,10-11,20-21H,3,9,12-15H2,1-2H3,(H2,28,31,32)/t20-,21-/m0/s1 | 定義日: | 2020-02-13 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine |
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![EX3 EX3](https://data.pdbj.org/pdbjplus/data/cc/svg/EX3.svg) | EX3 | 表記: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine | 組成式: | C27 H30 F N7 O | SMILES: | CCOc1nc(C)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6 | InChi: | InChI=1S/C27H30FN7O/c1-4-36-27-30-17(2)24-26(32-27)35(25(31-24)20-9-21(28)12-29-11-20)14-19-7-5-18(6-8-19)13-34-16-22-10-23(34)15-33(22)3/h5-9,11-12,22-23H,4,10,13-16H2,1-3H3/t22-,23-/m0/s1 | 定義日: | 2020-02-13 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine |
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![F5A F5A](https://data.pdbj.org/pdbjplus/data/cc/svg/F5A.svg) | F5A | 表記: | 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid | 組成式: | C17 H15 Cl O4 | SMILES: | C(C(=O)O)(C)(C)Oc1ccc(cc1)C(c2ccc(cc2)Cl)=O | InChi: | InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21) | 定義日: | 2019-01-23 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid |
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![N47 N47](https://data.pdbj.org/pdbjplus/data/cc/svg/N47.svg) | N47 | 表記: | N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine | 組成式: | C20 H29 N5 O2 | SMILES: | N(c3nc(Nc2cc(OCCCN1CCCC1)c(OC)cc2)nc(C)c3)C | InChi: | InChI=1S/C20H29N5O2/c1-15-13-19(21-2)24-20(22-15)23-16-7-8-17(26-3)18(14-16)27-12-6-11-25-9-4-5-10-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,21,22,23,24) | 定義日: | 2019-05-02 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine |
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![GB9 GB9](https://data.pdbj.org/pdbjplus/data/cc/svg/GB9.svg) | GB9 | 表記: | N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide | 組成式: | C12 H8 Cl F N2 O | SMILES: | Fc1ccc(cc1)C(=O)Nc2ccc(Cl)nc2 | InChi: | InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17) | 別名: | ztz240 | 定義日: | 2020-08-17 | 最終更新日: | 2020-11-05 | 公開日: | 2020-09-16 | 識別子(ID): | ~{N}-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide |
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![FBX FBX](https://data.pdbj.org/pdbjplus/data/cc/svg/FBX.svg) | FBX | 表記: | ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | 組成式: | C16 H18 F N3 O2 | SMILES: | CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N | InChi: | InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21) | 別名: | Retigabine, Ezogabine | 定義日: | 2020-04-27 | 最終更新日: | 2020-11-05 | 公開日: | 2020-09-16 | 識別子(ID): | ethyl ~{N}-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate |
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![4D6 4D6](https://data.pdbj.org/pdbjplus/data/cc/svg/4D6.svg) | 4D6 | 表記: | Vaborbactam | 組成式: | C12 H16 B N O5 S | SMILES: | c2ccc(CC(NC1CCC(OB1O)CC(=O)O)=O)s2 | InChi: | InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1 | 別名: | {(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid | 定義日: | 2015-03-03 | 最終更新日: | 2020-11-04 | 公開日: | 2015-04-01 | 識別子(ID): | {(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid |
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![TUS TUS](https://data.pdbj.org/pdbjplus/data/cc/svg/TUS.svg) | TUS | 表記: | (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one | 組成式: | C23 H29 N O5 | SMILES: | C23(C4C(CC1(C5(C(CC1C4CCC2=CC(C=C3)=O)OC(C)=N5)C(CO)=O)C)O)C | InChi: | InChI=1S/C23H29NO5/c1-12-24-23(18(28)11-25)19(29-12)9-16-15-5-4-13-8-14(26)6-7-21(13,2)20(15)17(27)10-22(16,23)3/h6-8,15-17,19-20,25,27H,4-5,9-11H2,1-3H3/t15-,16-,17-,19+,20+,21-,22-,23+/m0/s1 | 定義日: | 2020-03-31 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one |
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![WFY WFY](https://data.pdbj.org/pdbjplus/data/cc/svg/WFY.svg) | WFY | 表記: | 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide | 組成式: | C15 H18 Cl F N4 O | SMILES: | Clc1cc(C(=O)N)nc2c1c(C)cn2C(C)C3(CNCC3)F | InChi: | InChI=1S/C15H18ClFN4O/c1-8-6-21(9(2)15(17)3-4-19-7-15)14-12(8)10(16)5-11(20-14)13(18)22/h5-6,9,19H,3-4,7H2,1-2H3,(H2,18,22)/t9-,15-/m0/s1 | 定義日: | 2020-10-27 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide |
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![V4A V4A](https://data.pdbj.org/pdbjplus/data/cc/svg/V4A.svg) | V4A | 表記: | Platinum(II) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine] | 組成式: | C22 H16 N8 Pt | SMILES: | c3cccc4c2n1c(cccc1)nn2[Pt+2]6(n34)n8c(c5ccccn56)n7c(cccc7)n8 | InChi: | InChI=1S/2C11H8N4.Pt/c2*1-3-7-12-9(5-1)11-14-13-10-6-2-4-8-15(10)11 | 定義日: | 2020-06-24 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | bis[3-(pyridin-2-yl-kappaN)[1,2,4]triazolo[4,3-a]pyridine-kappaN~2~]platinum(2+) |
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![QOQ QOQ](https://data.pdbj.org/pdbjplus/data/cc/svg/QOQ.svg) | QOQ | 表記: | 5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine | 組成式: | C18 H19 Cl F2 N6 | SMILES: | Cc1cc(CN2CCC[CH](C2)c3cc(nc4ncnn34)C(F)F)cc(Cl)n1 | InChi: | InChI=1S/C18H19ClF2N6/c1-11-5-12(6-16(19)24-11)8-26-4-2-3-13(9-26)15-7-14(17(20)21)25-18-22-10-23-27(15)18/h5-7,10,13,17H,2-4,8-9H2,1H3/t13-/m0/s1 | 定義日: | 2020-07-13 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine |
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![TJG TJG](https://data.pdbj.org/pdbjplus/data/cc/svg/TJG.svg) | TJG | 表記: | 7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide | 組成式: | C21 H27 N3 O2 | SMILES: | c4c(C(NC1CCC(C(C)(O)C)CC1)=O)cc3ccc(C2CC2)nc3n4 | InChi: | InChI=1S/C21H27N3O2/c1-21(2,26)16-6-8-17(9-7-16)23-20(25)15-11-14-5-10-18(13-3-4-13)24-19(14)22-12-15/h5,10-13,16-17,26H,3-4,6-9H2,1-2H3,(H,23,25)/t16-,17- | 定義日: | 2020-03-23 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide |
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![R4P R4P](https://data.pdbj.org/pdbjplus/data/cc/svg/R4P.svg) | R4P | 表記: | 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid | 組成式: | C21 H17 N3 O2 | SMILES: | c1(cc(cc2c1n(C)nn2)c3ccc(cc3)c4c(cccc4)C)C(=O)O | InChi: | InChI=1S/C21H17N3O2/c1-13-5-3-4-6-17(13)15-9-7-14(8-10-15)16-11-18(21(25)26)20-19(12-16)22-23-24(20)2/h3-12H,1-2H3,(H,25,26) | 定義日: | 2020-01-30 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid |
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