MRS2698
| SMILES | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1N)n1ccc(=O)[nH]c1=S |
| InChIKey | UWTUUIWWVPWHAA-XVFCMESISA-N |
Chemical properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 499.0 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |