Ligand |
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| Ligand Name: N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide | ||
| HET ID: P5Y | PubChem: 146680839 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: ONC(=O)c1ccc(cc1)CN(C(=O)c1ccccc1C(F)(F)F)Cc1nnnn1Cc1ccccc1 | ||
| Standard InChI: InChI=1S/C25H21F3N6O3/c26-25(27,28)21-9-5-4-8-20(21)24(36)33(14-18-10-12-19(13-11-18)23(35)30-37)16-22-29-31-32-34(22)15-17-6-2-1-3-7-17/h1-13,37H,14-16H2,(H,30,35) | ||
| Molecular Formula: C25H21F3N6O3 | Mol. Weight: 510.46783 | Heavy Atoms: 37 |
| Charge: 0 | Is Chiral: False | logP: 4.0927 |
| HBD: 2 | HBA: 9 | TPSA: 113.24 |
| #Bonds: 40 | #Rotatable Bonds: 11 | Shape Complexity: 0.16 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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