Ligand |
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| Ligand Name: 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone | ||
| HET ID: E5K | PubChem: 134822020 | |
| DrugBank: - | ChEMBL: CHEMBL4284619 | |
| Canonical SMILES: CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)C | ||
| Standard InChI: InChI=1S/C20H31N3O2/c1-3-21-12-14-22(15-13-21)18-8-10-23(11-9-18)20(24)16-25-19-6-4-17(2)5-7-19/h4-7,18H,3,8-16H2,1-2H3 | ||
| Molecular Formula: C20H31N3O2 | Mol. Weight: 345.47903 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: False | logP: 1.816 |
| HBD: 0 | HBA: 5 | TPSA: 36.02 |
| #Bonds: 27 | #Rotatable Bonds: 6 | Shape Complexity: 0.65 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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