Ligand |
||
 | ||
| Ligand Name: 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB383 | PubChem: 126963311 | |
Synonym(s):
|
||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: ClCC(=O)Nc(c1)ccc(c12)c(ncn2)Nc3cc(O)ccc3Cl | ||
| Standard InChI: InChI=1S/C16H12Cl2N4O2/c17-7-15(24)21-9-1-3-11-13(5-9)19-8-20-16(11)22-14-6-10(23)2-4-12(14)18/h1-6,8,23H,7H2,(H,21,24)(H,19,20,22) | ||
| Molecular Formula: C16H12Cl2N4O2 | Mol. Weight: 362.03372 | logP: 3.9097 |
| HBD: 3 | HBA: 5 | |
| #Rotatable Bonds: 4 | TPSA: 87.14 | |