Ligand |
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| Ligand Name: 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one | ||
| HET ID: EHK | PubChem: 138115346 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Cc1cc(=O)n(nc1c1ccncc1)C1CCNCC1 | ||
| Standard InChI: InChI=1S/C15H18N4O/c1-11-10-14(20)19(13-4-8-17-9-5-13)18-15(11)12-2-6-16-7-3-12/h2-3,6-7,10,13,17H,4-5,8-9H2,1H3 | ||
| Molecular Formula: C15H18N4O | Mol. Weight: 270.32962 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: False | logP: 1.867 |
| HBD: 1 | HBA: 5 | TPSA: 59.81 |
| #Bonds: 22 | #Rotatable Bonds: 2 | Shape Complexity: 0.4 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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