7GI
Summary
| Name: | Repotrectinib |
| Synonyms: | TPX-0005 |
| Formula: | C18 H18 F N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 355.366 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 | 1.03 | InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | FIKPXCOQUIZNHB-WDEREUQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |
| SMILES | CACTVS | 3.385 | C[CH]1CNC(=O)c2cnn3ccc(N[CH](C)c4cc(F)ccc4O1)nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CNC(=O)c2cnn3c2nc(cc3)N[C@@H](c4cc(ccc4O1)F)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CNC(=O)c2cnn3c2nc(cc3)NC(c4cc(ccc4O1)F)C |
