ZP2
概要
| 表記: | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone |
| 別名: | Pharmacokinetically Improved TTR Binder (PITB) |
| 組成式: | C14 H10 F N O6 |
| 電荷: | 0 |
| 化学式量: | 307.231 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C14H10FNO6/c1-22-12-5-8(4-11(14(12)19)16(20)21)13(18)7-2-9(15)6-10(17)3-7/h2-6,17,19H,1H3 |
| InChIKey | InChI | 1.06 | LHCGDAFIWWCKGM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2 |
| SMILES | CACTVS | 3.385 | COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1O)[N+](=O)[O-])C(=O)c2cc(cc(c2)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1O)[N+](=O)[O-])C(=O)c2cc(cc(c2)F)O |
