CHEMBL1946295
| SMILES | CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |
| InChIKey | BRNQFMQEVZGSIY-ZWDAVXSWSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 457.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |