![6YX 6YX](https://data.pdbj.org/pdbjplus/data/cc/svg/6YX.svg) | 6YX | 表記: | [oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate | 組成式: | H26 O73 P24 | SMILES: | O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O | InChi: | InChI=1S/H26O73P24/c1-74(2,3)51-76(7,8)53-78(11,12)55-80(15,16)57-82(19,20)59-84(23,24)61-86(27,28)63-88(31,32)65-90(35,36)67-92(39,40)69-94(43,44)71-96(47,48)73-97(49,50)72-95(45,46)70-93(41,42)68-91(37,38)66-89(33,34)64-87(29,30)62-85(25,26)60-83(21,22)58-81(17,18)56-79(13,14)54-77(9,10)52-75(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,1,2,3)(H2,4,5,6) | 定義日: | 2016-07-27 | 最終更新日: | 2017-10-06 | 公開日: | 2017-10-11 | 識別子(ID): | [oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate |
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![6YY 6YY](https://data.pdbj.org/pdbjplus/data/cc/svg/6YY.svg) | 6YY | 表記: | bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate | 組成式: | H13 O34 P11 | SMILES: | O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O | InChi: | InChI=1S/H13O34P11/c1-35(2,3)25-37(7,8)27-39(11,12)29-41(15,16)31-43(19,20)33-45(23,24)34-44(21,22)32-42(17,18)30-40(13,14)28-38(9,10)26-36(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H2,1,2,3)(H2,4,5,6) | 定義日: | 2016-07-27 | 最終更新日: | 2017-10-06 | 公開日: | 2017-10-11 | 識別子(ID): | bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate |
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![AVH AVH](https://data.pdbj.org/pdbjplus/data/cc/svg/AVH.svg) | AVH | 表記: | (1R,2R,4R)-4-ethenylcyclohexane-1,2-diol | 組成式: | C8 H14 O2 | SMILES: | C1(CCC(C=C)CC1O)O | InChi: | InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7?,8-/m1/s1 | 定義日: | 2016-11-11 | 最終更新日: | 2017-10-06 | 公開日: | 2017-10-11 | 識別子(ID): | (1R,2R,4R)-4-ethenylcyclohexane-1,2-diol |
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![GR7 GR7](https://data.pdbj.org/pdbjplus/data/cc/svg/GR7.svg) | GR7 | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate | 組成式: | C32 H42 N2 O9 S | SMILES: | c2(cc1COCC=CCCCCN(S(c1cc2)(=O)=O)CC(O)C(NC(OC3COC4OCCC34)=O)Cc5ccccc5)OC | InChi: | InChI=1S/C32H42N2O9S/c1-39-25-12-13-30-24(19-25)21-40-16-9-4-2-3-8-15-34(44(30,37)38)20-28(35)27(18-23-10-6-5-7-11-23)33-32(36)43-29-22-42-31-26(29)14-17-41-31/h4-7,9-13,19,26-29,31,35H,2-3,8,14-18,20-22H2,1H3,(H,33,36)/b9-4+/t26-,27-,28+,29-,31+/m0/s1 | 定義日: | 2017-07-28 | 最終更新日: | 2017-10-06 | 公開日: | 2017-10-11 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate |
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![JAY JAY](https://data.pdbj.org/pdbjplus/data/cc/svg/JAY.svg) | JAY | 表記: | (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one | 組成式: | C35 H33 F2 N5 O2 | SMILES: | Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[CH](Nc6ccccc6C5=O)c7ccccc7F | InChi: | InChI=1S/C35H33F2N5O2/c36-28-13-5-1-9-24(28)32-38-30-15-7-3-11-26(30)34(43)41(32)22-21-40-19-17-23(18-20-40)42-33(25-10-2-6-14-29(25)37)39-31-16-8-4-12-27(31)35(42)44/h1-16,23,32-33,38-39H,17-22H2/t32-,33-/m1/s1 | 定義日: | 2017-02-27 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | (2~{R})-2-(2-fluorophenyl)-3-[2-[4-[(2~{R})-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one |
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![U52 U52](https://data.pdbj.org/pdbjplus/data/cc/svg/U52.svg) | U52 | 表記: | 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide | 組成式: | C24 H29 Cl N6 O3 | SMILES: | CNC(=O)COC1=Cc2cc(Nc3nc(ncc3Cl)N4C[CH](C)C[CH](C)C4)ccc2N(C)C1=O | InChi: | InChI=1S/C24H29ClN6O3/c1-14-7-15(2)12-31(11-14)24-27-10-18(25)22(29-24)28-17-5-6-19-16(8-17)9-20(23(33)30(19)4)34-13-21(32)26-3/h5-6,8-10,14-15H,7,11-13H2,1-4H3,(H,26,32)(H,27,28,29)/t14-,15+ | 定義日: | 2017-01-18 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide |
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![K35 K35](https://data.pdbj.org/pdbjplus/data/cc/svg/K35.svg) | K35 | 表記: | ~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide | 組成式: | C12 H23 N O6 | SMILES: | CCCCC(=O)N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO | InChi: | InChI=1S/C12H23NO6/c1-2-3-4-7(15)13-8-6(5-14)9(16)11(18)12(19)10(8)17/h6,8-12,14,16-19H,2-5H2,1H3,(H,13,15)/t6-,8+,9+,10-,11-,12-/m0/s1 | 定義日: | 2017-03-07 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | ~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide |
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![9TQ 9TQ](https://data.pdbj.org/pdbjplus/data/cc/svg/9TQ.svg) | 9TQ | 表記: | 5-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid | 組成式: | C29 H30 N2 O11 S | SMILES: | OC[CH]1O[CH](OCCNC(=S)Nc2ccc([CH]3C4=C(CC(=O)C=C4)Oc5cc(O)ccc35)c(c2)C(O)=O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C29H30N2O11S/c32-12-22-24(35)25(36)26(37)28(42-22)40-8-7-30-29(43)31-13-1-4-16(19(9-13)27(38)39)23-17-5-2-14(33)10-20(17)41-21-11-15(34)3-6-18(21)23/h1-6,9-10,22-26,28,32-33,35-37H,7-8,11-12H2,(H,38,39)(H2,30,31,43)/t22-,23?,24+,25+,26-,28+/m1/s1 | 定義日: | 2017-07-11 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | 5-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid |
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![7V7 7V7](https://data.pdbj.org/pdbjplus/data/cc/svg/7V7.svg) | 7V7 | 表記: | N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | 組成式: | C22 H28 N2 O | SMILES: | C2CC(N(c1ccccc1)C(CC)=O)CCN2CCc3ccccc3 | InChi: | InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 | 定義日: | 2016-12-06 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide |
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![OOO OOO](https://data.pdbj.org/pdbjplus/data/cc/svg/OOO.svg) | OOO | 表記: | ethyl (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate | 組成式: | C32 H39 N5 O3 | SMILES: | CCOC(=O)[CH](CC(C)C)N[CH]1CC[CH](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25 | InChi: | InChI=1S/C32H39N5O3/c1-4-39-32(38)28(18-21(2)3)36-23-12-14-24(15-13-23)37-19-27(29-30(33)34-20-35-31(29)37)22-10-16-26(17-11-22)40-25-8-6-5-7-9-25/h5-11,16-17,19-21,23-24,28,36H,4,12-15,18H2,1-3H3,(H2,33,34,35)/t23-,24+,28-/m0/s1 | 定義日: | 2016-10-06 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | ethyl (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate |
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![OOS OOS](https://data.pdbj.org/pdbjplus/data/cc/svg/OOS.svg) | OOS | 表記: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide | 組成式: | C30 H36 N6 O2 | SMILES: | CC(C)C[CH](N[CH]1CC[CH](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25)C(N)=O | InChi: | InChI=1S/C30H36N6O2/c1-19(2)16-26(29(32)37)35-21-10-12-22(13-11-21)36-17-25(27-28(31)33-18-34-30(27)36)20-8-14-24(15-9-20)38-23-6-4-3-5-7-23/h3-9,14-15,17-19,21-22,26,35H,10-13,16H2,1-2H3,(H2,32,37)(H2,31,33,34)/t21-,22-,26-/m0/s1 | 定義日: | 2016-10-19 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide |
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![OOU OOU](https://data.pdbj.org/pdbjplus/data/cc/svg/OOU.svg) | OOU | 表記: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide | 組成式: | C31 H38 N6 O2 | SMILES: | CNC(=O)[CH](CC(C)C)N[CH]1CC[CH](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25 | InChi: | InChI=1S/C31H38N6O2/c1-20(2)17-27(31(38)33-3)36-22-11-13-23(14-12-22)37-18-26(28-29(32)34-19-35-30(28)37)21-9-15-25(16-10-21)39-24-7-5-4-6-8-24/h4-10,15-16,18-20,22-23,27,36H,11-14,17H2,1-3H3,(H,33,38)(H2,32,34,35)/t22-,23-,27-/m0/s1 | 定義日: | 2016-10-07 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide |
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![OOV OOV](https://data.pdbj.org/pdbjplus/data/cc/svg/OOV.svg) | OOV | 表記: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide | 組成式: | C32 H40 N6 O2 | SMILES: | CC(C)C[CH](N[CH]1CC[CH](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25)C(=O)N(C)C | InChi: | InChI=1S/C32H40N6O2/c1-21(2)18-28(32(39)37(3)4)36-23-12-14-24(15-13-23)38-19-27(29-30(33)34-20-35-31(29)38)22-10-16-26(17-11-22)40-25-8-6-5-7-9-25/h5-11,16-17,19-21,23-24,28,36H,12-15,18H2,1-4H3,(H2,33,34,35)/t23-,24-,28-/m0/s1 | 定義日: | 2016-10-07 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide |
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![B74 B74](https://data.pdbj.org/pdbjplus/data/cc/svg/B74.svg) | B74 | 表記: | (3-methylphenyl)methanol | 組成式: | C8 H10 O | SMILES: | C(O)c1cc(ccc1)C | InChi: | InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3 | 定義日: | 2017-08-02 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | (3-methylphenyl)methanol |
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![P59 P59](https://data.pdbj.org/pdbjplus/data/cc/svg/P59.svg) | P59 | 表記: | (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one | 組成式: | C20 H15 F N2 O | SMILES: | Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc4 | InChi: | InChI=1S/C20H15FN2O/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)14-8-2-1-3-9-14/h1-13,19,22H/t19-/m1/s1 | 定義日: | 2017-02-27 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | (2~{R})-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one |
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![P69 P69](https://data.pdbj.org/pdbjplus/data/cc/svg/P69.svg) | P69 | 表記: | (2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one | 組成式: | C20 H15 F N2 O | SMILES: | Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc4 | InChi: | InChI=1S/C20H15FN2O/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)14-8-2-1-3-9-14/h1-13,19,22H/t19-/m0/s1 | 定義日: | 2017-02-27 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | (2~{S})-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one |
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![4WH 4WH](https://data.pdbj.org/pdbjplus/data/cc/svg/4WH.svg) | 4WH | 表記: | 4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole | 組成式: | C22 H27 N3 O4 S | SMILES: | CC(C)(C)c1ccc(cc1)S(c2nnn(c2C)c3cc(C)c(OC)cc3OC)(=O)=O | InChi: | InChI=1S/C22H27N3O4S/c1-14-12-18(20(29-7)13-19(14)28-6)25-15(2)21(23-24-25)30(26,27)17-10-8-16(9-11-17)22(3,4)5/h8-13H,1-7H3 | 定義日: | 2015-06-11 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | 4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole |
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![CJY CJY](https://data.pdbj.org/pdbjplus/data/cc/svg/CJY.svg) | CJY | 表記: | 3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid | 組成式: | C22 H19 N O3 | SMILES: | c1cc4c(cc1)c(CCCOc3c2ccccc2ccc3)c(C(=O)O)n4 | InChi: | InChI=1S/C22H19NO3/c24-22(25)21-18(17-10-3-4-12-19(17)23-21)11-6-14-26-20-13-5-8-15-7-1-2-9-16(15)20/h1-5,7-10,12-13,23H,6,11,14H2,(H,24,25) | 定義日: | 2017-09-27 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | 3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid |
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![RC0 RC0](https://data.pdbj.org/pdbjplus/data/cc/svg/RC0.svg) | RC0 | 表記: | 5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine | 組成式: | C15 H13 Cl2 N5 | SMILES: | Cc1cc(C)n(n1)c2ncc(Cl)c(Nc3ccc(Cl)cc3)n2 | InChi: | InChI=1S/C15H13Cl2N5/c1-9-7-10(2)22(21-9)15-18-8-13(17)14(20-15)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,18,19,20) | 定義日: | 2017-01-18 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | 5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine |
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![CN7 CN7](https://data.pdbj.org/pdbjplus/data/cc/svg/CN7.svg) | CN7 | 表記: | 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid | 組成式: | C35 H36 N2 O4 | SMILES: | c1ccc(c(c1)C)c2c5c(ccc2)c(CCCOc4cccc3ccccc34)c(C(O)=O)n5CCN6CCOCC6 | InChi: | InChI=1S/C35H36N2O4/c1-25-9-2-4-12-27(25)29-14-7-15-30-31(16-8-22-41-32-17-6-11-26-10-3-5-13-28(26)32)34(35(38)39)37(33(29)30)19-18-36-20-23-40-24-21-36/h2-7,9-15,17H,8,16,18-24H2,1H3,(H,38,39) | 定義日: | 2017-09-28 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid |
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![8TL 8TL](https://data.pdbj.org/pdbjplus/data/cc/svg/8TL.svg) | 8TL | 表記: | propan-2-yl (3R,6S,9aS)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6H-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate | 組成式: | C20 H35 N3 O5 S | SMILES: | CC[CH]1ON([CH]2CN(CCC(C)C)C(=O)[CH](CCSC)N2C1=O)C(=O)OC(C)C | InChi: | InChI=1S/C20H35N3O5S/c1-7-16-19(25)22-15(9-11-29-6)18(24)21(10-8-13(2)3)12-17(22)23(28-16)20(26)27-14(4)5/h13-17H,7-12H2,1-6H3/t15-,16+,17-/m0/s1 | 定義日: | 2017-09-14 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | propan-2-yl (3~{R},6~{S},9~{a}~{S})-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9~{a}-dihydro-6~{H}-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate |
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![8W5 8W5](https://data.pdbj.org/pdbjplus/data/cc/svg/8W5.svg) | 8W5 | 表記: | (1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one | 組成式: | C25 H34 O6 | SMILES: | CCC[CH]1O[CH]2C[CH]3[CH]4CCC5=CC(=O)C=C[C]5(C)[CH]4[CH](O)C[C]3(C)[C]2(O1)C(=O)CO | InChi: | InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1 | 定義日: | 2017-03-15 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | (1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one |
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![8W8 8W8](https://data.pdbj.org/pdbjplus/data/cc/svg/8W8.svg) | 8W8 | 表記: | 2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide | 組成式: | C25 H21 F4 N3 O3 | SMILES: | COc1cccc(c1)[CH](Oc2ccc3n(ncc3c2)c4ccc(F)cc4)[CH](C)NC(=O)C(F)(F)F | InChi: | InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1 | 定義日: | 2017-03-16 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | 2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide |
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![8WT 8WT](https://data.pdbj.org/pdbjplus/data/cc/svg/8WT.svg) | 8WT | 表記: | 8-methylsulfanyl-7~{H}-purin-6-amine | 組成式: | C6 H7 N5 S | SMILES: | CSc1[nH]c2c(N)ncnc2n1 | InChi: | InChI=1S/C6H7N5S/c1-12-6-10-3-4(7)8-2-9-5(3)11-6/h2H,1H3,(H3,7,8,9,10,11) | 定義日: | 2017-03-20 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | 8-methylsulfanyl-7~{H}-purin-6-amine |
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![8WW 8WW](https://data.pdbj.org/pdbjplus/data/cc/svg/8WW.svg) | 8WW | 表記: | 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine | 組成式: | C13 H13 N5 S | SMILES: | Nc1nc(SCCc2ccccc2)c3[nH]cnc3n1 | InChi: | InChI=1S/C13H13N5S/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18) | 定義日: | 2017-03-21 | 最終更新日: | 2017-09-29 | 公開日: | 2017-10-04 | 識別子(ID): | 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine |
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