CHEMBL4091661
SMILES | COC(=O)c1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1 |
InChIKey | JFNKNPOSXSFDCP-NVXWUHKLSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 446.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |