A-18
SMILES | C1CCC(C1)NCC(C2=CC(=C(C(=C2)Br)N)C#N)O |
InChIKey | SGQICXAMNZOMBD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 323.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |