Ligand |
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| Ligand Name: KK052 | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1025 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: c1ccccc1N2CCN(CC2)C(=O)n3ccnn3 | ||
| Standard InChI: InChI=1S/C13H15N5O/c19-13(18-7-6-14-15-18)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2 | ||
| Molecular Formula: C13H15N5O | Mol. Weight: 257.12766 | logP: 1.0684 |
| HBD: 0 | HBA: 5 | |
| #Rotatable Bonds: 1 | TPSA: 54.26 | |