 |
| Ligand Name: ARS-917 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB416 |
PubChem:
118018888
|
Synonym(s):
- schembl16646925
- 1-(4-(6-chloro-7-(2-fluorophenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one
- 1698023-15-2
show 2 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Fc1ccccc1-c(c(Cl)c2)cc(c23)ncnc3N4CCN(CC4)C(=O)C=C |
| Standard InChI: InChI=1S/C21H18ClFN4O/c1-2-20(28)26-7-9-27(10-8-26)21-16-11-17(22)15(12-19(16)24-13-25-21)14-5-3-4-6-18(14)23/h2-6,11-13H,1,7-10H2 |
| Molecular Formula: C21H18ClFN4O |
Mol. Weight: 396.11533 |
logP: 3.9239 |
| HBD: 0 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 49.33 |