A1JH6
Summary
| Name: | FN558 |
| Formula: | C24 H21 F6 N O2 |
| Formal charge: | 0 |
| Formula weight: | 469.419 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H21F6NO2/c1-10-16(22(32)33)4-5-17-18-11-2-3-12(6-11)19(18)21(31-20(10)17)13-7-14(23(25,26)27)9-15(8-13)24(28,29)30/h4-5,7-9,11-12,18-19,21,31H,2-3,6H2,1H3,(H,32,33)/t11-,12+,18-,19-,21+/m0/s1 |
| InChIKey | InChI | 1.06 | ZDLBBVTYBSLWNB-PSPNCCEFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c2N[C@@H]([C@H]3[C@@H]4CC[C@@H](C4)[C@H]3c2ccc1C(O)=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1c2N[CH]([CH]3[CH]4CC[CH](C4)[CH]3c2ccc1C(O)=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1N[C@@H]([C@@H]3[C@H]2[C@H]4CC[C@@H]3C4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1NC(C3C2C4CCC3C4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)C(=O)O |
