Ligand |
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| Ligand Name: IC-2 | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB149 | PubChem: 10066850 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL365843 | |
| Canonical SMILES: OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCC=C2C(=O)NCc3ccccc3 | ||
| Standard InChI: InChI=1S/C20H24N2O4/c23-13-18(24)17-10-5-11-22(17)20(26)16-9-4-8-15(16)19(25)21-12-14-6-2-1-3-7-14/h1-3,6-8,16-17,23H,4-5,9-13H2,(H,21,25)/t16-,17+/m1/s1 | ||
| Molecular Formula: C20H24N2O4 | Mol. Weight: 356.1736 | logP: 1.1916 |
| HBD: 2 | HBA: 4 | |
| #Rotatable Bonds: 6 | TPSA: 86.71 | |