![WN7 WN7](https://data.pdbj.org/pdbjplus/data/cc/svg/WN7.svg) | WN7 | 表記: | 5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine | 組成式: | C12 H13 N3 | SMILES: | c2c(CNc1cc(C)cnc1)ccnc2 | InChi: | InChI=1S/C12H13N3/c1-10-6-12(9-14-7-10)15-8-11-2-4-13-5-3-11/h2-7,9,15H,8H2,1H3 | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine |
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![WNA WNA](https://data.pdbj.org/pdbjplus/data/cc/svg/WNA.svg) | WNA | 表記: | 1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine | 組成式: | C10 H13 N5 | SMILES: | c2(NCc1c(C)cccc1)nnnn2C | InChi: | InChI=1S/C10H13N5/c1-8-5-3-4-6-9(8)7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14) | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine |
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![WNG WNG](https://data.pdbj.org/pdbjplus/data/cc/svg/WNG.svg) | WNG | 表記: | N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine | 組成式: | C15 H13 N3 | SMILES: | c2(nc1c(cccc1)n2)N[C@H]=Cc3ccccc3 | InChi: | InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-11H,(H2,16,17,18)/b11-10- | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine |
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![WNM WNM](https://data.pdbj.org/pdbjplus/data/cc/svg/WNM.svg) | WNM | 表記: | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine | 組成式: | C10 H14 N2 O2 S | SMILES: | c2(S(N1CCC(N)C1)(=O)=O)ccccc2 | InChi: | InChI=1S/C10H14N2O2S/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2/t9-/m0/s1 | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine |
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![WNP WNP](https://data.pdbj.org/pdbjplus/data/cc/svg/WNP.svg) | WNP | 表記: | N-(3-chlorophenyl)-2,2,2-trifluoroacetamide | 組成式: | C8 H5 Cl F3 N O | SMILES: | c1cc(NC(C(F)(F)F)=O)cc(c1)Cl | InChi: | InChI=1S/C8H5ClF3NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(H,13,14) | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | N-(3-chlorophenyl)-2,2,2-trifluoroacetamide |
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![WNY WNY](https://data.pdbj.org/pdbjplus/data/cc/svg/WNY.svg) | WNY | 表記: | 1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one | 組成式: | C12 H15 Cl N2 O | SMILES: | c2(N1CCN(C(C)=O)CC1)ccc(cc2)Cl | InChi: | InChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3 | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one |
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![WO1 WO1](https://data.pdbj.org/pdbjplus/data/cc/svg/WO1.svg) | WO1 | 表記: | (3R)-1-methylpiperidin-3-yl furan-2-carboxylate | 組成式: | C11 H15 N O3 | SMILES: | c2cc(C(=O)OC1CCCN(C)C1)oc2 | InChi: | InChI=1S/C11H15NO3/c1-12-6-2-4-9(8-12)15-11(13)10-5-3-7-14-10/h3,5,7,9H,2,4,6,8H2,1H3/t9-/m1/s1 | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | (3R)-1-methylpiperidin-3-yl furan-2-carboxylate |
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![WOA WOA](https://data.pdbj.org/pdbjplus/data/cc/svg/WOA.svg) | WOA | 表記: | (3S)-3-(methylamino)-1-phenylpiperidin-2-one | 組成式: | C12 H16 N2 O | SMILES: | c2(N1CCCC(NC)C1=O)ccccc2 | InChi: | InChI=1S/C12H16N2O/c1-13-11-8-5-9-14(12(11)15)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-/m0/s1 | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | (3S)-3-(methylamino)-1-phenylpiperidin-2-one |
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![WQD WQD](https://data.pdbj.org/pdbjplus/data/cc/svg/WQD.svg) | WQD | 表記: | UDP-4-deoxy-4-formamido-beta-L-arabinopyranose | 組成式: | C15 H23 N3 O16 P2 | SMILES: | C(OP(OP(O)(=O)OC1C(O)C(O)C(NC=O)CO1)(=O)O)C3C(C(O)C(N2C=CC(NC2=O)=O)O3)O | InChi: | InChI=1S/C15H23N3O16P2/c19-5-16-6-3-30-14(12(24)9(6)21)33-36(28,29)34-35(26,27)31-4-7-10(22)11(23)13(32-7)18-2-1-8(20)17-15(18)25/h1-2,5-7,9-14,21-24H,3-4H2,(H,16,19)(H,26,27)(H,28,29)(H,17,20,25)/t6-,7+,9-,10+,11+,12+,13+,14+/m0/s1 | 別名: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{S})-5-formamido-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate | 定義日: | 2020-11-04 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S)-5-(formylamino)-3,4-dihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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![WSS WSS](https://data.pdbj.org/pdbjplus/data/cc/svg/WSS.svg) | WSS | 表記: | tri(methyl)-[2-[[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[(~{E})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium | 組成式: | C44 H85 N O8 P | SMILES: | C(OP(=O)(O)OCC[N+](C)(C)C)C(COC(=O)CCCCCCC[C@H]=CCCCCCCCC)OC(CCCCCCC[C@H]=CCCCCCCCC)=O | InChi: | InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21-/t42-/m1/s1 | 定義日: | 2020-11-04 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | (4R,7R,18E)-4-hydroxy-N,N,N-trimethyl-7-{[(9Z)-octadec-9-enoyl]oxy}-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacos-18-en-1-aminium |
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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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![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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![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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![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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![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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![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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![QR2 QR2](https://data.pdbj.org/pdbjplus/data/cc/svg/QR2.svg) | QR2 | 表記: | 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one | 組成式: | C9 H4 Cl F3 N2 O2 | SMILES: | FC(F)(F)c1cc(ccc1Cl)C2=NNC(=O)O2 | InChi: | InChI=1S/C9H4ClF3N2O2/c10-6-2-1-4(3-5(6)9(11,12)13)7-14-15-8(16)17-7/h1-3H,(H,15,16) | 定義日: | 2020-07-24 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one |
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![RFT RFT](https://data.pdbj.org/pdbjplus/data/cc/svg/RFT.svg) | RFT | 表記: | butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate | 組成式: | C15 H24 N2 O3 S3 | SMILES: | C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)=O | InChi: | InChI=1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20) | 定義日: | 2020-05-13 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate |
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