Ligand |
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| Ligand Name: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide | ||
| HET ID: IWH | PubChem: 49835969 | |
| DrugBank: - | ChEMBL: CHEMBL1233696 | |
| Canonical SMILES: Cc1ccc(c(c1)C)Cn1cc(ccc1=O)C(=O)N | ||
| Standard InChI: InChI=1S/C15H16N2O2/c1-10-3-4-12(11(2)7-10)8-17-9-13(15(16)19)5-6-14(17)18/h3-7,9H,8H2,1-2H3,(H2,16,19) | ||
| Molecular Formula: C15H16N2O2 | Mol. Weight: 256.29974 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: False | logP: 2.3126 |
| HBD: 1 | HBA: 4 | TPSA: 65.09 |
| #Bonds: 20 | #Rotatable Bonds: 3 | Shape Complexity: 0.2 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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