Ligand |
||
 | ||
| Ligand Name: 3-{[6-chloro-7-(2-fluorophenyl)-4-[4-(prop-2-enoyl)piperazin-1-yl]quinazolin-2-yl]amino}-N,N-dimethylpropanamide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB418 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CN(C)C(=O)CCNc1nc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(cc2n1)-c1ccccc1F | ||
| Standard InChI: InChI=1S/C26H28ClFN6O2/c1-4-23(35)33-11-13-34(14-12-33)25-19-15-20(27)18(17-7-5-6-8-21(17)28)16-22(19)30-26(31-25)29-10-9-24(36)32(2)3/h4-8,15-16H,1,9-14H2,2-3H3,(H,29,30,31) | ||
| Molecular Formula: C26H28ClFN6O2 | Mol. Weight: 510.19464 | logP: 3.8141 |
| HBD: 1 | HBA: 6 | |
| #Rotatable Bonds: 7 | TPSA: 81.67 | |