![R7M R7M](https://data.pdbj.org/pdbjplus/data/cc/svg/R7M.svg) | R7M | 表記: | (2R)-2-hydroxy-7-methoxy-2-(pentafluoroethyl)-2,3-dihydro-4H-1-benzopyran-4-one | 組成式: | C12 H9 F5 O4 | SMILES: | C2(CC(=O)c1c(cc(cc1)OC)O2)(C(F)(F)C(F)(F)F)O | InChi: | InChI=1S/C12H9F5O4/c1-20-6-2-3-7-8(18)5-10(19,21-9(7)4-6)11(13,14)12(15,16)17/h2-4,19H,5H2,1H3/t10-/m1/s1 | 定義日: | 2020-02-06 | 最終更新日: | 2021-01-29 | 公開日: | 2021-02-03 | 識別子(ID): | (2R)-2-hydroxy-7-methoxy-2-(pentafluoroethyl)-2,3-dihydro-4H-1-benzopyran-4-one |
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![OCK OCK](https://data.pdbj.org/pdbjplus/data/cc/svg/OCK.svg) | OCK | 表記: | (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione | 組成式: | C15 H20 N2 O2 | SMILES: | CCC[C]1(C)N(CC)C(=O)c2ccccc2NC1=O | InChi: | InChI=1S/C15H20N2O2/c1-4-10-15(3)14(19)16-12-9-7-6-8-11(12)13(18)17(15)5-2/h6-9H,4-5,10H2,1-3H3,(H,16,19)/t15-/m1/s1 | 定義日: | 2020-02-27 | 最終更新日: | 2021-01-29 | 公開日: | 2021-02-03 | 識別子(ID): | (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione |
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![VB4 VB4](https://data.pdbj.org/pdbjplus/data/cc/svg/VB4.svg) | VB4 | 表記: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-tryptophan | 組成式: | C19 H20 N3 O7 P | SMILES: | n1cc(c(c(c1C)O)[C@H]=NC(C(O)=O)Cc3c2ccccc2nc3)COP(O)(=O)O | InChi: | InChI=1S/C19H20N3O7P/c1-11-18(23)15(13(8-20-11)10-29-30(26,27)28)9-22-17(19(24)25)6-12-7-21-16-5-3-2-4-14(12)16/h2-5,7-9,17,21,23H,6,10H2,1H3,(H,24,25)(H2,26,27,28)/b22-9+/t17-/m1/s1 | 定義日: | 2020-07-22 | 最終更新日: | 2021-01-29 | 公開日: | 2021-02-03 | 識別子(ID): | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-tryptophan |
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![OD8 OD8](https://data.pdbj.org/pdbjplus/data/cc/svg/OD8.svg) | OD8 | 表記: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(me
thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol | 組成式: | C27 H48 O8 | SMILES: | COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]4[CH](CC[C]4(C)C[CH]12)C(C)C | InChi: | InChI=1S/C27H48O8/c1-13(2)16-8-9-27(4)10-18-15(12-33-5)6-7-17(18)14(3)21(29)25(20(16)27)35-26-24(32)23(31)22(30)19(11-28)34-26/h13-26,28-32H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19-,20-,21-,22-,23+,24-,25-,26-,27-/m1/s1 | 別名: | 16-OMe-Fusicoccin H | 定義日: | 2020-02-27 | 最終更新日: | 2021-01-29 | 公開日: | 2021-02-03 | 識別子(ID): | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol |
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![VCP VCP](https://data.pdbj.org/pdbjplus/data/cc/svg/VCP.svg) | VCP | 表記: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine | 組成式: | C19 H20 N3 O8 P | SMILES: | C(c1cnc(c(c1[C@H]=NC(CC3c2ccccc2NC3=O)C(O)=O)O)C)OP(O)(O)=O | InChi: | InChI=1S/C19H20N3O8P/c1-10-17(23)14(11(7-20-10)9-30-31(27,28)29)8-21-16(19(25)26)6-13-12-4-2-3-5-15(12)22-18(13)24/h2-5,7-8,13,16,23H,6,9H2,1H3,(H,22,24)(H,25,26)(H2,27,28,29)/b21-8+/t13-,16?/m0/s1 | 定義日: | 2020-07-28 | 最終更新日: | 2021-01-29 | 公開日: | 2021-02-03 | 識別子(ID): | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine |
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![VCS VCS](https://data.pdbj.org/pdbjplus/data/cc/svg/VCS.svg) | VCS | 表記: | 4-[(E)-({1-carboxy-2-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate | 組成式: | C19 H20 N3 O8 P | SMILES: | C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3c2ccccc2NC3=O)C(=O)O)[O-])C)OP(=O)(O)O | InChi: | InChI=1S/C19H20N3O8P/c1-10-17(23)14(11(7-20-10)9-30-31(27,28)29)8-21-16(19(25)26)6-13-12-4-2-3-5-15(12)22-18(13)24/h2-5,7-8,13,21,23H,6,9H2,1H3,(H,22,24)(H,25,26)(H2,27,28,29)/b21-8+/t13-/m0/s1 | 定義日: | 2020-07-29 | 最終更新日: | 2021-01-29 | 公開日: | 2021-02-03 | 識別子(ID): | 4-[(E)-({1-carboxy-2-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate |
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![VE4 VE4](https://data.pdbj.org/pdbjplus/data/cc/svg/VE4.svg) | VE4 | 表記: | 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate | 組成式: | C19 H20 N3 O9 P | SMILES: | C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3(O)c2ccccc2NC3=O)C(O)=O)[O-])C)OP(O)(=O)O | InChi: | InChI=1S/C19H20N3O9P/c1-10-16(23)12(11(7-20-10)9-31-32(28,29)30)8-21-15(17(24)25)6-19(27)13-4-2-3-5-14(13)22-18(19)26/h2-5,7-8,21,23,27H,6,9H2,1H3,(H,22,26)(H,24,25)(H2,28,29,30)/b21-8+/t19-/m1/s1 | 定義日: | 2020-07-31 | 最終更新日: | 2021-01-29 | 公開日: | 2021-02-03 | 識別子(ID): | 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate |
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![RQA RQA](https://data.pdbj.org/pdbjplus/data/cc/svg/RQA.svg) | RQA | 表記: | 5'-O-sulfocytidine | 組成式: | C9 H13 N3 O8 S | SMILES: | C1(N=C(N)C=CN1C2C(O)C(C(COS(=O)(=O)O)O2)O)=O | InChi: | InChI=1S/C9H13N3O8S/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H,16,17,18)/t4-,6-,7-,8-/m1/s1 | 定義日: | 2020-02-20 | 最終更新日: | 2021-01-29 | 公開日: | 2021-02-03 | 識別子(ID): | 5'-O-sulfocytidine |
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![EV9 EV9](https://data.pdbj.org/pdbjplus/data/cc/svg/EV9.svg) | EV9 | 表記: | [(2~{R})-3-[[(2~{S})-3-[(2~{S})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate | 組成式: | C44 H87 N2 O11 P | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)COC(=O)[CH](N)CCCCN)OC(=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C44H87N2O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-42(48)53-37-40(57-43(49)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-56-58(51,52)55-36-39(47)35-54-44(50)41(46)31-29-30-34-45/h39-41,47H,3-38,45-46H2,1-2H3,(H,51,52)/t39-,40+,41-/m0/s1 | 定義日: | 2020-02-04 | 最終更新日: | 2021-01-29 | 公開日: | 2021-02-03 | 識別子(ID): | [(2~{R})-3-[[(2~{S})-3-[(2~{S})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate |
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![RUQ RUQ](https://data.pdbj.org/pdbjplus/data/cc/svg/RUQ.svg) | RUQ | 表記: | (dicuprio-$l^{3}-sulfanyl)-sulfanyl-copper | 組成式: | Cu3 H S2 | SMILES: | S[Cu][S+]([Cu])[Cu] | InChi: | InChI=1S/3Cu.H2S.S/h | 定義日: | 2020-10-20 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | dicupriosulfonio(sulfanyl)copper |
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![RVV RVV](https://data.pdbj.org/pdbjplus/data/cc/svg/RVV.svg) | RVV | 表記: | 2,4-dimethylpyridine | 組成式: | C7 H9 N | SMILES: | Cc1cc(C)ncc1 | InChi: | InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3 | 定義日: | 2020-02-27 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | 2,4-dimethylpyridine |
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![K7E K7E](https://data.pdbj.org/pdbjplus/data/cc/svg/K7E.svg) | K7E | 表記: | sulfanyl-(tricuprio-$l^{4}-sulfanyl)copper | 組成式: | Cu4 H S2 | SMILES: | S[Cu][S]([Cu])([Cu])[Cu] | InChi: | InChI=1S/4Cu.H2S.S/h | 定義日: | 2019-05-01 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | sulfanyl-(tricuprio-$l^{4}-sulfanyl)copper |
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![GWO GWO](https://data.pdbj.org/pdbjplus/data/cc/svg/GWO.svg) | GWO | 表記: | (2R,4R,5S)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid | 組成式: | C19 H23 N O3 | SMILES: | N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)C(O)=O | InChi: | InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18-/m1/s1 | 定義日: | 2020-09-29 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | (2~{R},4~{R},5~{S})-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid |
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![NXQ NXQ](https://data.pdbj.org/pdbjplus/data/cc/svg/NXQ.svg) | NXQ | 表記: | 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid | 組成式: | C17 H17 F N O5 S | SMILES: | C[S-](O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1 | InChi: | InChI=1S/C17H17FNO5S/c1-25(23)13-4-2-3-11(7-13)9-19-17(22)14-6-5-12(18)8-15(14)24-10-16(20)21/h2-8,23H,9-10H2,1H3,(H,19,22)(H,20,21)/q-1 | 定義日: | 2020-01-07 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)sulfanuidyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid |
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![GY0 GY0](https://data.pdbj.org/pdbjplus/data/cc/svg/GY0.svg) | GY0 | 表記: | methyl 3-[(E,3R,9R)-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate | 組成式: | C14 H24 O5 S | SMILES: | COC(=O)CCSC(=O)C[CH](O)C=CCCC[CH](C)O | InChi: | InChI=1S/C14H24O5S/c1-11(15)6-4-3-5-7-12(16)10-14(18)20-9-8-13(17)19-2/h5,7,11-12,15-16H,3-4,6,8-10H2,1-2H3/b7-5+/t11-,12+/m1/s1 | 定義日: | 2020-10-08 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | methyl 3-[(~{E},3~{R},9~{R})-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate |
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![NY5 NY5](https://data.pdbj.org/pdbjplus/data/cc/svg/NY5.svg) | NY5 | 表記: | 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid | 組成式: | C11 H12 O2 | SMILES: | OC(=O)c1ccc2CCCCc2c1 | InChi: | InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13) | 定義日: | 2020-01-08 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
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![WPM WPM](https://data.pdbj.org/pdbjplus/data/cc/svg/WPM.svg) | WPM | 表記: | N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide | 組成式: | C17 H19 N5 O4 S | SMILES: | C3(N(C)C=CC(NC(CN(C)S(c2cc(cc1cnnc12)C)(=O)=O)=O)=C3)=O | InChi: | InChI=1S/C17H19N5O4S/c1-11-6-12-9-18-20-17(12)14(7-11)27(25,26)22(3)10-15(23)19-13-4-5-21(2)16(24)8-13/h4-9H,10H2,1-3H3,(H,18,20)(H,19,23) | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide |
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![NYE NYE](https://data.pdbj.org/pdbjplus/data/cc/svg/NYE.svg) | NYE | 表記: | 3-azanylnaphthalene-2-carboxylic acid | 組成式: | C11 H9 N O2 | SMILES: | Nc1cc2ccccc2cc1C(O)=O | InChi: | InChI=1S/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14) | 定義日: | 2020-01-09 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | 3-azanylnaphthalene-2-carboxylic acid |
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![GYF GYF](https://data.pdbj.org/pdbjplus/data/cc/svg/GYF.svg) | GYF | 表記: | methyl 3-sulfanylpropanoate | 組成式: | C4 H8 O2 S | SMILES: | COC(=O)CCS | InChi: | InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3 | 定義日: | 2020-10-08 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | methyl 3-sulfanylpropanoate |
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![S2B S2B](https://data.pdbj.org/pdbjplus/data/cc/svg/S2B.svg) | S2B | 表記: | 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one | 組成式: | C16 H12 B2 O8 | SMILES: | O[B-]1(O)OC(=O)c2cc(C=Cc3ccc4c(c3)C(=O)O[B-]4(O)O)ccc12 | InChi: | InChI=1S/C16H12B2O8/c19-15-11-7-9(3-5-13(11)17(21,22)25-15)1-2-10-4-6-14-12(8-10)16(20)26-18(14,23)24/h1-8,21-24H/q-2/b2-1+ | 定義日: | 2019-08-20 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one |
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![W8S W8S](https://data.pdbj.org/pdbjplus/data/cc/svg/W8S.svg) | W8S | 表記: | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone | 組成式: | C26 H24 N4 O4 | SMILES: | Cn2c(cc(c1cc(ccc1)OC)n2)Nc3cc(O)cc(c3C(=O)N4Cc5c(C4)cccc5)O | InChi: | InChI=1S/C26H24N4O4/c1-29-24(13-21(28-29)16-8-5-9-20(10-16)34-2)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-6-3-4-7-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3 | 定義日: | 2020-09-30 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone |
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![W8V W8V](https://data.pdbj.org/pdbjplus/data/cc/svg/W8V.svg) | W8V | 表記: | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone | 組成式: | C26 H24 N4 O3 | SMILES: | c3(O)cc(c(C(=O)N1Cc2c(C1)cccc2)c(c3)Nc5cc(c4c(cccc4)C)nn5C)O | InChi: | InChI=1S/C26H24N4O3/c1-16-7-3-6-10-20(16)21-13-24(29(2)28-21)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-8-4-5-9-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3 | 定義日: | 2020-09-30 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone |
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![W8Y W8Y](https://data.pdbj.org/pdbjplus/data/cc/svg/W8Y.svg) | W8Y | 表記: | (5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone | 組成式: | C24 H21 N5 O3 | SMILES: | c1(cc(cc(c1C(=O)N2Cc3c(C2)cccn3)Nc5cc(c4ccccc4)nn5C)O)O | InChi: | InChI=1S/C24H21N5O3/c1-28-22(12-18(27-28)15-6-3-2-4-7-15)26-19-10-17(30)11-21(31)23(19)24(32)29-13-16-8-5-9-25-20(16)14-29/h2-12,26,30-31H,13-14H2,1H3 | 定義日: | 2020-09-30 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | (5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone |
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![NZW NZW](https://data.pdbj.org/pdbjplus/data/cc/svg/NZW.svg) | NZW | 表記: | ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | 組成式: | C26 H28 N4 O4 | SMILES: | COc1ccc(cc1)[CH](C)NC(=O)[CH]2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3 | InChi: | InChI=1S/C26H28N4O4/c1-17(18-9-12-20(34-2)13-10-18)28-26(33)23-8-5-15-30(23)24(31)16-27-25(32)22-14-11-19-6-3-4-7-21(19)29-22/h3-4,6-7,9-14,17,23H,5,8,15-16H2,1-2H3,(H,27,32)(H,28,33)/t17-,23-/m0/s1 | 定義日: | 2020-01-13 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide |
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![O08 O08](https://data.pdbj.org/pdbjplus/data/cc/svg/O08.svg) | O08 | 表記: | ~{N}-[2-[(2~{S},4~{R})-2-[[(1~{S})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide | 組成式: | C26 H26 Cl F N4 O5 | SMILES: | COc1ccc([CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)CNC(=O)c3ccc4cc(F)ccc4n3)c(Cl)c1 | InChi: | InChI=1S/C26H26ClFN4O5/c1-14(19-6-5-18(37-2)11-20(19)27)30-26(36)23-10-17(33)13-32(23)24(34)12-29-25(35)22-7-3-15-9-16(28)4-8-21(15)31-22/h3-9,11,14,17,23,33H,10,12-13H2,1-2H3,(H,29,35)(H,30,36)/t14-,17+,23-/m0/s1 | 定義日: | 2020-01-13 | 最終更新日: | 2021-01-22 | 公開日: | 2021-01-27 | 識別子(ID): | ~{N}-[2-[(2~{S},4~{R})-2-[[(1~{S})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide |
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