![N6N N6N](https://data.pdbj.org/pdbjplus/data/cc/svg/N6N.svg) | N6N | 表記: | 3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione | 組成式: | C8 H6 Br N3 S | SMILES: | Brc1cccc(c1)C2=NNC(=S)N2 | InChi: | InChI=1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13) | 定義日: | 2023-01-11 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | 3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione |
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![N7C N7C](https://data.pdbj.org/pdbjplus/data/cc/svg/N7C.svg) | N7C | 表記: | ~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide | 組成式: | C11 H11 N3 O | SMILES: | Cn1cnc2c(NC(=O)C=C)cccc12 | InChi: | InChI=1S/C11H11N3O/c1-3-10(15)13-8-5-4-6-9-11(8)12-7-14(9)2/h3-7H,1H2,2H3,(H,13,15) | 定義日: | 2023-01-11 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | ~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide |
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![N86 N86](https://data.pdbj.org/pdbjplus/data/cc/svg/N86.svg) | N86 | 表記: | ~{N}-quinolin-7-ylprop-2-enamide | 組成式: | C12 H10 N2 O | SMILES: | C=CC(=O)Nc1ccc2cccnc2c1 | InChi: | InChI=1S/C12H10N2O/c1-2-12(15)14-10-6-5-9-4-3-7-13-11(9)8-10/h2-8H,1H2,(H,14,15) | 定義日: | 2023-01-11 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | ~{N}-quinolin-7-ylprop-2-enamide |
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![N8O N8O](https://data.pdbj.org/pdbjplus/data/cc/svg/N8O.svg) | N8O | 表記: | ~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide | 組成式: | C12 H15 N5 O | SMILES: | CN(C)c1cc(NC(=O)C=C)nc2cc(C)nn12 | InChi: | InChI=1S/C12H15N5O/c1-5-11(18)14-9-7-12(16(3)4)17-10(13-9)6-8(2)15-17/h5-7H,1H2,2-4H3,(H,13,14,18) | 定義日: | 2023-01-11 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | ~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide |
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![N99 N99](https://data.pdbj.org/pdbjplus/data/cc/svg/N99.svg) | N99 | 表記: | ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide | 組成式: | C10 H9 N3 O | SMILES: | C=CC(=O)Nc1cc2ccccn2n1 | InChi: | InChI=1S/C10H9N3O/c1-2-10(14)11-9-7-8-5-3-4-6-13(8)12-9/h2-7H,1H2,(H,11,12,14) | 定義日: | 2023-01-11 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide |
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![N9L N9L](https://data.pdbj.org/pdbjplus/data/cc/svg/N9L.svg) | N9L | 表記: | ~{N}-(4-phenylpyridin-2-yl)prop-2-enamide | 組成式: | C14 H12 N2 O | SMILES: | C=CC(=O)Nc1cc(ccn1)c2ccccc2 | InChi: | InChI=1S/C14H12N2O/c1-2-14(17)16-13-10-12(8-9-15-13)11-6-4-3-5-7-11/h2-10H,1H2,(H,15,16,17) | 定義日: | 2023-01-11 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | ~{N}-(4-phenylpyridin-2-yl)prop-2-enamide |
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![N9R N9R](https://data.pdbj.org/pdbjplus/data/cc/svg/N9R.svg) | N9R | 表記: | ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide | 組成式: | C16 H14 N4 O | SMILES: | Cn1cc(c2cc(NC(=O)C=C)ncn2)c3ccccc13 | InChi: | InChI=1S/C16H14N4O/c1-3-16(21)19-15-8-13(17-10-18-15)12-9-20(2)14-7-5-4-6-11(12)14/h3-10H,1H2,2H3,(H,17,18,19,21) | 定義日: | 2023-01-11 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide |
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![LWX LWX](https://data.pdbj.org/pdbjplus/data/cc/svg/LWX.svg) | LWX | 表記: | 6-(2-bromophenyl)-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[[(2S)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one | 組成式: | C30 H33 Br N6 O2 | SMILES: | CN1CCN(CC1)c2ccc(Nc3ncc4C=C(C(=O)N(C[CH]5CCCO5)c4n3)c6ccccc6Br)cc2C | InChi: | InChI=1S/C30H33BrN6O2/c1-20-16-22(9-10-27(20)36-13-11-35(2)12-14-36)33-30-32-18-21-17-25(24-7-3-4-8-26(24)31)29(38)37(28(21)34-30)19-23-6-5-15-39-23/h3-4,7-10,16-18,23H,5-6,11-15,19H2,1-2H3,(H,32,33,34)/t23-/m0/s1 | 定義日: | 2022-12-16 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | 6-(2-bromophenyl)-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[[(2~{S})-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one |
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![LXO LXO](https://data.pdbj.org/pdbjplus/data/cc/svg/LXO.svg) | LXO | 表記: | 4-(pyridin-4-ylamino)butanoic acid | 組成式: | C9 H12 N2 O2 | SMILES: | OC(=O)CCCNc1ccncc1 | InChi: | InChI=1S/C9H12N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2,(H,10,11)(H,12,13) | 定義日: | 2022-12-16 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | 4-(pyridin-4-ylamino)butanoic acid |
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![B3F B3F](https://data.pdbj.org/pdbjplus/data/cc/svg/B3F.svg) | B3F | 表記: | ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide | 組成式: | C20 H26 N2 O2 | SMILES: | CCCCCOc1cccc(Nc2ccccc2NC(=O)CC)c1 | InChi: | InChI=1S/C20H26N2O2/c1-3-5-8-14-24-17-11-9-10-16(15-17)21-18-12-6-7-13-19(18)22-20(23)4-2/h6-7,9-13,15,21H,3-5,8,14H2,1-2H3,(H,22,23) | 定義日: | 2023-07-17 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide |
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![MWF MWF](https://data.pdbj.org/pdbjplus/data/cc/svg/MWF.svg) | MWF | 表記: | (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide | 組成式: | C18 H19 F2 N5 O4 | SMILES: | C[CH](Nc1ccc2c(OCCn3cc(nc23)N4[CH](COC4=O)C(F)F)c1)C(N)=O | InChi: | InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12+/m1/s1 | 別名: | Inavolisib | 定義日: | 2022-08-08 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | (2~{R})-2-[[2-[(4~{S})-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide |
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![MWU MWU](https://data.pdbj.org/pdbjplus/data/cc/svg/MWU.svg) | MWU | 表記: | ~{N}-pyridin-2-ylprop-2-enamide | 組成式: | C8 H8 N2 O | SMILES: | C=CC(=O)Nc1ccccn1 | InChi: | InChI=1S/C8H8N2O/c1-2-8(11)10-7-5-3-4-6-9-7/h2-6H,1H2,(H,9,10,11) | 定義日: | 2023-01-05 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | ~{N}-pyridin-2-ylprop-2-enamide |
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![7TG 7TG](https://data.pdbj.org/pdbjplus/data/cc/svg/7TG.svg) | 7TG | 表記: | [(1S,3S,6S,7S,8R,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^1,5]dodecan-9-yl] dihydrogen phosphate | 組成式: | C20 H31 N2 O6 P | SMILES: | CN[CH]1CN2[CH](Cc3ccc(OC)cc3)[CH](O)[CH]4C[C]2(CC[CH]4O[P](O)(O)=O)C1 | InChi: | InChI=1S/C20H31N2O6P/c1-21-14-10-20-8-7-18(28-29(24,25)26)16(11-20)19(23)17(22(20)12-14)9-13-3-5-15(27-2)6-4-13/h3-6,14,16-19,21,23H,7-12H2,1-2H3,(H2,24,25,26)/t14-,16-,17-,18-,19-,20+/m0/s1 | 定義日: | 2021-10-25 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | [(1~{S},3~{S},6~{S},7~{S},8~{R},9~{S})-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^{1,5}]dodecan-9-yl] dihydrogen phosphate |
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![F3Y F3Y](https://data.pdbj.org/pdbjplus/data/cc/svg/F3Y.svg) | F3Y | 表記: | ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide | 組成式: | C20 H26 N2 O2 | SMILES: | CCCCCOc1cccc(Nc2cccc(NC(=O)CC)c2)c1 | InChi: | InChI=1S/C20H26N2O2/c1-3-5-6-13-24-19-12-8-11-18(15-19)21-16-9-7-10-17(14-16)22-20(23)4-2/h7-12,14-15,21H,3-6,13H2,1-2H3,(H,22,23) | 定義日: | 2023-07-18 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide |
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![UDI UDI](https://data.pdbj.org/pdbjplus/data/cc/svg/UDI.svg) | UDI | 表記: | butane-1,4-dithiol | 組成式: | C4 H10 S2 | SMILES: | SCCCCS | InChi: | InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2 | 別名: | 1,2-dithiane 1-oxide (reacted) | 定義日: | 2023-02-01 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | butane-1,4-dithiol |
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![UHU UHU](https://data.pdbj.org/pdbjplus/data/cc/svg/UHU.svg) | UHU | 表記: | (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol | 組成式: | C6 H11 N O3 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH]2N[CH]12 | InChi: | InChI=1S/C6H11NO3/c8-1-2-3-4(7-3)6(10)5(2)9/h2-10H,1H2/t2-,3+,4+,5+,6+/m1/s1 | 定義日: | 2023-09-05 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol |
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![UI5 UI5](https://data.pdbj.org/pdbjplus/data/cc/svg/UI5.svg) | UI5 | 表記: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol | 組成式: | C6 H13 N O3 | SMILES: | N[CH]1C[CH](O)[CH](O)[CH]1CO | InChi: | InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1 | 定義日: | 2023-09-05 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol |
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![UJR UJR](https://data.pdbj.org/pdbjplus/data/cc/svg/UJR.svg) | UJR | 表記: | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal | 組成式: | C7 H8 I N3 O S | SMILES: | N[CH](CSc1ncc(I)cn1)C=O | InChi: | InChI=1S/C7H8IN3OS/c8-5-1-10-7(11-2-5)13-4-6(9)3-12/h1-3,6H,4,9H2/t6-/m1/s1 | 別名: | arylated cysteine | 定義日: | 2023-02-06 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal |
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![O7I O7I](https://data.pdbj.org/pdbjplus/data/cc/svg/O7I.svg) | O7I | 表記: | (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid | 組成式: | C22 H22 N2 O3 | SMILES: | O=C(O)c1ccc(cc1C1CCCC1)c1ncnc2cc(ccc21)OCC | InChi: | InChI=1S/C22H22N2O3/c1-2-27-16-8-10-18-20(12-16)23-13-24-21(18)15-7-9-17(22(25)26)19(11-15)14-5-3-4-6-14/h7-14H,2-6H2,1H3,(H,25,26) | 定義日: | 2023-08-17 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid |
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![V8O V8O](https://data.pdbj.org/pdbjplus/data/cc/svg/V8O.svg) | V8O | 表記: | 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide | 組成式: | C19 H15 N3 O2 S2 | SMILES: | Cc1cc(cnc1c2cccc3ncccc23)c4sc(cc4)[S](N)(=O)=O | InChi: | InChI=1S/C19H15N3O2S2/c1-12-10-13(17-7-8-18(25-17)26(20,23)24)11-22-19(12)15-4-2-6-16-14(15)5-3-9-21-16/h2-11H,1H3,(H2,20,23,24) | 定義日: | 2023-02-27 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide |
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![VIZ VIZ](https://data.pdbj.org/pdbjplus/data/cc/svg/VIZ.svg) | VIZ | 表記: | 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid | 組成式: | C18 H16 N2 O6 S2 | SMILES: | ON1C(=CSC1=NC(=O)C[S](=O)(=O)Cc2ccc3ccccc3c2)CC(O)=O | InChi: | InChI=1S/C18H16N2O6S2/c21-16(19-18-20(24)15(9-27-18)8-17(22)23)11-28(25,26)10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,24H,8,10-11H2,(H,22,23)/b19-18- | 定義日: | 2023-07-27 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid |
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![VJF VJF](https://data.pdbj.org/pdbjplus/data/cc/svg/VJF.svg) | VJF | 表記: | 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid | 組成式: | C14 H15 N3 O6 S2 | SMILES: | ON1C(=CSC1=NC(=O)CCN[S](=O)(=O)c2ccccc2)CC(O)=O | InChi: | InChI=1S/C14H15N3O6S2/c18-12(16-14-17(21)10(9-24-14)8-13(19)20)6-7-15-25(22,23)11-4-2-1-3-5-11/h1-5,9,15,21H,6-8H2,(H,19,20)/b16-14- | 定義日: | 2023-07-27 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid |
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![VK6 VK6](https://data.pdbj.org/pdbjplus/data/cc/svg/VK6.svg) | VK6 | 表記: | 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid | 組成式: | C16 H17 N3 O6 S2 | SMILES: | ON1C(=CSC1=NC(=O)[CH]2CCN(C2)[S](=O)(=O)c3ccccc3)CC(O)=O | InChi: | InChI=1S/C16H17N3O6S2/c20-14(21)8-12-10-26-16(19(12)23)17-15(22)11-6-7-18(9-11)27(24,25)13-4-2-1-3-5-13/h1-5,10-11,23H,6-9H2,(H,20,21)/b17-16-/t11-/m1/s1 | 定義日: | 2023-07-27 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid |
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![VQO VQO](https://data.pdbj.org/pdbjplus/data/cc/svg/VQO.svg) | VQO | 表記: | methanimidate | 組成式: | C H2 N O | SMILES: | [O-]C=N | InChi: | InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/p-1 | 定義日: | 2023-08-04 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | methanimidate |
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![W2T W2T](https://data.pdbj.org/pdbjplus/data/cc/svg/W2T.svg) | W2T | 表記: | (3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide | 組成式: | C26 H24 Cl F N4 O3 | SMILES: | Fc1ccc(cc1)C(C)NC(=O)c1cc2c(cc1)NC(=O)C/2=C/c1[NH]c(C)c(NC(=O)CCl)c1C | InChi: | InChI=1S/C26H24ClFN4O3/c1-13-22(29-15(3)24(13)32-23(33)12-27)11-20-19-10-17(6-9-21(19)31-26(20)35)25(34)30-14(2)16-4-7-18(28)8-5-16/h4-11,14,29H,12H2,1-3H3,(H,30,34)(H,31,35)(H,32,33)/b20-11-/t14-/m1/s1 | 定義日: | 2023-09-22 | 最終更新日: | 2023-12-08 | 公開日: | 2023-12-13 | 識別子(ID): | (3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide |
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