JH112
SMILES | CC[C@@H]([C@H]1CN(CCCN1C(=O)c1cc(C)ccc1n1nccn1)c1oc2c(n1)cc(cc2)Cl)C |
InChIKey | CRLKYMWQHWKXAE-FDDCHVKYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 492.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 6V9S |