CHEMBL40686
| SMILES | CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2nc(CSc3ccccc3)cs2)c1 |
| InChIKey | UJNNARZFPPTALZ-LKCJCFKCSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 15 |
| Molecular weight (Da) | 629.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |