VXM
概要
| 表記: | 4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione |
| 組成式: | C15 H11 F N2 O3 |
| 電荷: | 0 |
| 化学式量: | 286.258 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione |
| OpenEye OEToolkits | 2.0.7 | 4-[(5-fluoranyl-2-oxidanyl-phenyl)methylamino]isoindole-1,3-dione |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C1(NC(c2c1cccc2NCc3cc(F)ccc3O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H11FN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21) |
| InChIKey | InChI | 1.03 | KOZDXWZBBVAXGG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(F)cc1CNc2cccc3C(=O)NC(=O)c23 |
| SMILES | CACTVS | 3.385 | Oc1ccc(F)cc1CNc2cccc3C(=O)NC(=O)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O |
