![C0C C0C](https://data.pdbj.org/pdbjplus/data/cc/svg/C0C.svg) | C0C | 表記: | 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide | 組成式: | C26 H30 Cl N3 O3 | SMILES: | O=C(NCc1cccc(c1)C(=O)NC)C1CCCN1C(=O)C1(CCCC1)c1ccc(Cl)cc1 | InChi: | InChI=1S/C26H30ClN3O3/c1-28-23(31)19-7-4-6-18(16-19)17-29-24(32)22-8-5-15-30(22)25(33)26(13-2-3-14-26)20-9-11-21(27)12-10-20/h4,6-7,9-12,16,22H,2-3,5,8,13-15,17H2,1H3,(H,28,31)(H,29,32)/t22-/m1/s1 | 定義日: | 2021-11-18 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide |
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![JDW JDW](https://data.pdbj.org/pdbjplus/data/cc/svg/JDW.svg) | JDW | 表記: | 1-ethyl-2-[(1-ethylquinolin-2-yl)methyl]quinoline | 組成式: | C23 H24 N2 | SMILES: | CC[n+]1c(Cc2ccc3ccccc3[n+]2CC)ccc4ccccc14 | InChi: | InChI=1S/C23H24N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-16H,3-4,17H2,1-2H3/q+2 | 定義日: | 2022-04-26 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | 1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methyl]quinolin-1-ium |
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![828 828](https://data.pdbj.org/pdbjplus/data/cc/svg/828.svg) | 828 | 表記: | N-(3-chloropyridin-4-yl)-2-{3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-5-[(E)-2-sulfamoylethenyl]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | 組成式: | C22 H19 Cl N8 O4 S | SMILES: | Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(/C=C/S(N)(=O)=O)c3C2=O)cn1 | InChi: | InChI=1S/C22H19ClN8O4S/c1-29-11-15(9-27-29)3-2-7-30-14-26-21-20(22(30)33)16(5-8-36(24,34)35)12-31(21)13-19(32)28-18-4-6-25-10-17(18)23/h4-6,8-12,14H,7,13H2,1H3,(H2,24,34,35)(H,25,28,32)/b8-5+ | 定義日: | 2021-08-19 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | N-(3-chloropyridin-4-yl)-2-{3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-5-[(E)-2-sulfamoylethenyl]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide |
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![85O 85O](https://data.pdbj.org/pdbjplus/data/cc/svg/85O.svg) | 85O | 表記: | 12-methoxy-Nb-methylvoachalotine | 組成式: | C24 H31 N2 O4 | SMILES: | O=C(OC)C1(CO)C2Cc3c(C4CC1C(=CC)/C[N+]24C)n(C)c1c(OC)cccc31 | InChi: | InChI=1S/C24H31N2O4/c1-6-14-12-26(3)18-11-17(14)24(13-27,23(28)30-5)20(26)10-16-15-8-7-9-19(29-4)22(15)25(2)21(16)18/h6-9,17-18,20,27H,10-13H2,1-5H3/q+1/b14-6-/t17-,18-,20-,24+,26-/m0/s1 | 定義日: | 2021-09-06 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | (4R,19E)-16-(hydroxymethyl)-12,17-dimethoxy-1,4-dimethyl-17-oxosarpagan-4-ium |
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![8II 8II](https://data.pdbj.org/pdbjplus/data/cc/svg/8II.svg) | 8II | 表記: | 3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol | 組成式: | C18 H18 Cl N5 O | SMILES: | OCCCNc1nccc(c1)c1ccnc(Nc2cc(Cl)ccc2)n1 | InChi: | InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24) | 定義日: | 2021-09-20 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | 3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol |
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![O0U O0U](https://data.pdbj.org/pdbjplus/data/cc/svg/O0U.svg) | O0U | 表記: | 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide | 組成式: | C22 H16 Cl N3 O4 | SMILES: | CCc1ccc(cc1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N](=O)=O)cc3n2 | InChi: | InChI=1S/C22H16ClN3O4/c1-2-13-3-5-14(6-4-13)22-25-19-11-15(7-10-20(19)30-22)24-21(27)17-12-16(26(28)29)8-9-18(17)23/h3-12H,2H2,1H3,(H,24,27) | 定義日: | 2022-08-25 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide |
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![O2O O2O](https://data.pdbj.org/pdbjplus/data/cc/svg/O2O.svg) | O2O | 表記: | 2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide | 組成式: | C21 H14 Cl N3 O4 | SMILES: | Cc1cccc(c1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N+]([O-])=O)cc3n2 | InChi: | InChI=1S/C21H14ClN3O4/c1-12-3-2-4-13(9-12)21-24-18-10-14(5-8-19(18)29-21)23-20(26)16-11-15(25(27)28)6-7-17(16)22/h2-11H,1H3,(H,23,26) | 定義日: | 2022-08-26 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | 2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide |
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![8T6 8T6](https://data.pdbj.org/pdbjplus/data/cc/svg/8T6.svg) | 8T6 | 表記: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | 組成式: | C23 H32 N4 O4 | SMILES: | CC(C)(C)CC(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C23H32N4O4/c1-23(2,3)12-19(22(31)25-16(13-28)10-15-8-9-24-20(15)29)27-21(30)18-11-14-6-4-5-7-17(14)26-18/h4-7,11,15-16,19,26,28H,8-10,12-13H2,1-3H3,(H,24,29)(H,25,31)(H,27,30)/t15-,16-,19-/m0/s1 | 定義日: | 2021-09-30 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide |
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![8UI 8UI](https://data.pdbj.org/pdbjplus/data/cc/svg/8UI.svg) | 8UI | 表記: | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | 組成式: | C24 H34 N4 O5 | SMILES: | COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C24H34N4O5/c1-24(2,3)12-19(23(32)26-15(13-29)10-14-8-9-25-21(14)30)28-22(31)18-11-16-17(27-18)6-5-7-20(16)33-4/h5-7,11,14-15,19,27,29H,8-10,12-13H2,1-4H3,(H,25,30)(H,26,32)(H,28,31)/t14-,15-,19-/m0/s1 | 定義日: | 2021-09-30 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
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![PXV PXV](https://data.pdbj.org/pdbjplus/data/cc/svg/PXV.svg) | PXV | 表記: | N-(8-hydroxyoctyl)-4-methoxybenzamide | 組成式: | C16 H25 N O3 | SMILES: | C(CO)CCCCCCNC(c1ccc(cc1)OC)=O | InChi: | InChI=1S/C16H25NO3/c1-20-15-10-8-14(9-11-15)16(19)17-12-6-4-2-3-5-7-13-18/h8-11,18H,2-7,12-13H2,1H3,(H,17,19) | 定義日: | 2019-08-28 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | N-(8-hydroxyoctyl)-4-methoxybenzamide |
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![Q3R Q3R](https://data.pdbj.org/pdbjplus/data/cc/svg/Q3R.svg) | Q3R | 表記: | ~{N}-[5-[4-[[4-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide | 組成式: | C51 H58 F3 N9 O7 S | SMILES: | CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C | InChi: | InChI=1S/C51H58F3N9O7S/c1-30-44(71-29-58-30)33-10-8-31(9-11-33)26-57-48(69)41-24-36(64)28-63(41)49(70)45(50(2,3)4)60-42(65)7-6-18-55-46(67)34-14-12-32(13-15-34)35-16-17-40(62-21-19-61(5)20-22-62)39(23-35)59-47(68)37-27-56-43(66)25-38(37)51(52,53)54/h8-17,23,25,27,29,36,41,45,64H,6-7,18-22,24,26,28H2,1-5H3,(H,55,67)(H,56,66)(H,57,69)(H,59,68)(H,60,65)/t36-,41+,45-/m1/s1 | 定義日: | 2022-10-12 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | ~{N}-[5-[4-[[4-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide |
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![Q3X Q3X](https://data.pdbj.org/pdbjplus/data/cc/svg/Q3X.svg) | Q3X | 表記: | ~{N}-[5-[4-[2-[2-[2-[2-[3-[[3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-3~{H}-pyridine-3-carboxamide | 組成式: | C58 H72 F3 N9 O11 S | SMILES: | CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCCOCCOCCOCCOCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C | InChi: | InChI=1S/C58H72F3N9O11S/c1-37-51(82-36-65-37)40-8-6-38(7-9-40)33-64-55(76)48-31-43(71)35-70(48)56(77)52(57(2,3)4)67-49(72)16-22-78-24-26-80-28-29-81-27-25-79-23-17-62-53(74)41-12-10-39(11-13-41)42-14-15-47(69-20-18-68(5)19-21-69)46(30-42)66-54(75)44-34-63-50(73)32-45(44)58(59,60)61/h6-15,30,32,34,36,43,48,52,71H,16-29,31,33,35H2,1-5H3,(H,62,74)(H,63,73)(H,64,76)(H,66,75)(H,67,72)/t43-,48+,52-/m1/s1 | 定義日: | 2022-10-12 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | ~{N}-[5-[4-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide |
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![Q43 Q43](https://data.pdbj.org/pdbjplus/data/cc/svg/Q43.svg) | Q43 | 表記: | ~{N}-[5-[4-[[4-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]phenyl]methylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide | 組成式: | C56 H60 F3 N9 O7 S | SMILES: | CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCc5ccc(CC(=O)N[CH](C(=O)N6C[CH](O)C[CH]6C(=O)NCc7ccc(cc7)c8scnc8C)C(C)(C)C)cc5 | InChi: | InChI=1S/C56H60F3N9O7S/c1-33-49(76-32-63-33)38-12-10-36(11-13-38)29-62-53(74)46-26-41(69)31-68(46)54(75)50(55(2,3)4)65-48(71)24-34-6-8-35(9-7-34)28-61-51(72)39-16-14-37(15-17-39)40-18-19-45(67-22-20-66(5)21-23-67)44(25-40)64-52(73)42-30-60-47(70)27-43(42)56(57,58)59/h6-19,25,27,30,32,41,46,50,69H,20-24,26,28-29,31H2,1-5H3,(H,60,70)(H,61,72)(H,62,74)(H,64,73)(H,65,71)/t41-,46+,50-/m1/s1 | 定義日: | 2022-10-13 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | ~{N}-[5-[4-[[4-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]phenyl]methylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide |
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![IQ4 IQ4](https://data.pdbj.org/pdbjplus/data/cc/svg/IQ4.svg) | IQ4 | 表記: | ~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide | 組成式: | C29 H38 N6 O2 S6 | SMILES: | Oc1ccc(cc1)C(=S)NCCC(=S)NCCC(=S)NCCCNC(=S)CCNC(=S)CCNC(=S)c2ccc(O)cc2 | InChi: | InChI=1S/C29H38N6O2S6/c36-22-6-2-20(3-7-22)28(42)34-18-12-26(40)32-16-10-24(38)30-14-1-15-31-25(39)11-17-33-27(41)13-19-35-29(43)21-4-8-23(37)9-5-21/h2-9,36-37H,1,10-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,43) | 別名: | Closthioamide | 定義日: | 2022-04-06 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | ~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide |
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![ITO ITO](https://data.pdbj.org/pdbjplus/data/cc/svg/ITO.svg) | ITO | 表記: | [6,7-bis(chloranyl)-3-phosphono-quinoxalin-2-yl]phosphonic acid | 組成式: | C8 H6 Cl2 N2 O6 P2 | SMILES: | O[P](O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1[P](O)(O)=O | InChi: | InChI=1S/C8H6Cl2N2O6P2/c9-3-1-5-6(2-4(3)10)12-8(20(16,17)18)7(11-5)19(13,14)15/h1-2H,(H2,13,14,15)(H2,16,17,18) | 定義日: | 2022-04-12 | 最終更新日: | 2022-11-04 | 公開日: | 2022-11-09 | 識別子(ID): | [6,7-bis(chloranyl)-3-phosphono-quinoxalin-2-yl]phosphonic acid |
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![VNN VNN](https://data.pdbj.org/pdbjplus/data/cc/svg/VNN.svg) | VNN | 表記: | (4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone | 組成式: | C11 H16 N2 O S | SMILES: | Cc1cc(cs1)C(=O)N1CCN(C)CC1 | InChi: | InChI=1S/C11H16N2OS/c1-9-7-10(8-15-9)11(14)13-5-3-12(2)4-6-13/h7-8H,3-6H2,1-2H3 | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | (4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone |
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![VNU VNU](https://data.pdbj.org/pdbjplus/data/cc/svg/VNU.svg) | VNU | 表記: | N-(1-phenylcyclobutyl)glycinamide | 組成式: | C12 H16 N2 O | SMILES: | O=C(NC1(CCC1)c1ccccc1)CN | InChi: | InChI=1S/C12H16N2O/c13-9-11(15)14-12(7-4-8-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,15) | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | N-(1-phenylcyclobutyl)glycinamide |
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![W5C W5C](https://data.pdbj.org/pdbjplus/data/cc/svg/W5C.svg) | W5C | 表記: | 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one | 組成式: | C11 H11 N3 O S | SMILES: | Cn1cnnc1SCC(=O)c1ccccc1 | InChi: | InChI=1S/C11H11N3OS/c1-14-8-12-13-11(14)16-7-10(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one |
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![V92 V92](https://data.pdbj.org/pdbjplus/data/cc/svg/V92.svg) | V92 | 表記: | 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile | 組成式: | C10 H6 N2 O2 | SMILES: | OC=1c2ccccc2NC(=O)C=1C#N | InChi: | InChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14) | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile |
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![VO5 VO5](https://data.pdbj.org/pdbjplus/data/cc/svg/VO5.svg) | VO5 | 表記: | N-ethyl-2-methoxybenzene-1-sulfonamide | 組成式: | C9 H13 N O3 S | SMILES: | O=S(=O)(NCC)c1ccccc1OC | InChi: | InChI=1S/C9H13NO3S/c1-3-10-14(11,12)9-7-5-4-6-8(9)13-2/h4-7,10H,3H2,1-2H3 | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | N-ethyl-2-methoxybenzene-1-sulfonamide |
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![W5L W5L](https://data.pdbj.org/pdbjplus/data/cc/svg/W5L.svg) | W5L | 表記: | (2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol | 組成式: | C10 H14 Cl N O2 | SMILES: | Cc1cc(OCC(O)CN)ccc1Cl | InChi: | InChI=1S/C10H14ClNO2/c1-7-4-9(2-3-10(7)11)14-6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3/t8-/m1/s1 | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | (2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol |
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![VO9 VO9](https://data.pdbj.org/pdbjplus/data/cc/svg/VO9.svg) | VO9 | 表記: | N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide | 組成式: | C10 H13 N O2 S | SMILES: | O=C(N(CCO)C1CC1)c1cccs1 | InChi: | InChI=1S/C10H13NO2S/c12-6-5-11(8-3-4-8)10(13)9-2-1-7-14-9/h1-2,7-8,12H,3-6H2 | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide |
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![W5Q W5Q](https://data.pdbj.org/pdbjplus/data/cc/svg/W5Q.svg) | W5Q | 表記: | N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide | 組成式: | C12 H16 F2 N2 O | SMILES: | Fc1cc(F)ccc1C(C)NCC(=O)NCC | InChi: | InChI=1S/C12H16F2N2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)/t8-/m0/s1 | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide |
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![V9I V9I](https://data.pdbj.org/pdbjplus/data/cc/svg/V9I.svg) | V9I | 表記: | ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-carboxylate | 組成式: | C10 H18 N2 O4 | SMILES: | CONC(=O)C1CCCN(C1)C(=O)OCC | InChi: | InChI=1S/C10H18N2O4/c1-3-16-10(14)12-6-4-5-8(7-12)9(13)11-15-2/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1 | 定義日: | 2022-08-29 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-carboxylate |
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![W5U W5U](https://data.pdbj.org/pdbjplus/data/cc/svg/W5U.svg) | W5U | 表記: | N-[2-(dimethylamino)ethyl]-4-fluorobenzamide | 組成式: | C11 H15 F N2 O | SMILES: | O=C(NCCN(C)C)c1ccc(F)cc1 | InChi: | InChI=1S/C11H15FN2O/c1-14(2)8-7-13-11(15)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15) | 定義日: | 2022-09-02 | 最終更新日: | 2022-10-28 | 公開日: | 2022-11-02 | 識別子(ID): | N-[2-(dimethylamino)ethyl]-4-fluorobenzamide |
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