Ligand |
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| Ligand Name: 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide | ||
| HET ID: QAA | PubChem: 121256316 | |
| DrugBank: - | ChEMBL: CHEMBL3770102 | |
| Canonical SMILES: O=C(Nc1ccc(nn1)OC1CCN(CC1)c1ccc(nn1)NC(=O)Cc1ccccc1)Cc1ccccc1 | ||
| Standard InChI: InChI=1S/C29H29N7O3/c37-27(19-21-7-3-1-4-8-21)30-24-11-13-26(34-32-24)36-17-15-23(16-18-36)39-29-14-12-25(33-35-29)31-28(38)20-22-9-5-2-6-10-22/h1-14,23H,15-20H2,(H,30,32,37)(H,31,33,38) | ||
| Molecular Formula: C29H29N7O3 | Mol. Weight: 523.58563 | Heavy Atoms: 39 |
| Charge: 0 | Is Chiral: False | logP: 3.8878 |
| HBD: 2 | HBA: 10 | TPSA: 122.23 |
| #Bonds: 43 | #Rotatable Bonds: 11 | Shape Complexity: 0.2413793 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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