 |
| Ligand Name: 7-{[(4-methoxyphenyl)amino](pyridin-2-yl)methyl}quinolin-8-ol |
| Ligand Type: peptide-like |
| Ligand ID: COVPDB21 |
PubChem:
1045331
|
| Synonym(s):
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: COc1ccc(cc1)N[C@H](c2ncccc2)c(c3O)ccc(c34)cccn4 |
| Standard InChI: InChI=1S/C22H19N3O2/c1-27-17-10-8-16(9-11-17)25-21(19-6-2-3-13-23-19)18-12-7-15-5-4-14-24-20(15)22(18)26/h2-14,21,25-26H,1H3/t21-/m0/s1 |
| Molecular Formula: C22H19N3O2 |
Mol. Weight: 357.14774 |
logP: 4.5455 |
| HBD: 2 | HBA: 5 |
| #Rotatable Bonds: 5 | TPSA: 67.27 |