CHEMBL40836
| SMILES | COc1ccc(-c2csc(/C=C/c3cccc([C@@H](CCc4ccccc4C(C)(C)O)SCC4(CC(=O)O)CC4)c3)n2)cc1 |
| InChIKey | ABUORUUTGDPPSU-CFGRSBKHSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 14 |
| Molecular weight (Da) | 613.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |