AB-NECA
SMILES | CCNC(=O)C(=O)Nc1nc(Nc2ccccc2)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO |
InChIKey | ZLZSAUQLHYWSOL-HLFSEMCJSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 6 |
Rotatable bonds | 6 |
Molecular weight (Da) | 457.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |