CHEMBL437204
| SMILES | CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](O)[C@H]1O |
| InChIKey | SWSWSFUMHHGBOX-UVFUQWLHSA-N |
Chemical properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 14 |
| Molecular weight (Da) | 551.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |