Ligand |
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| Ligand Name: ~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide | ||
| HET ID: CQK | PubChem: 135567437 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: ONC(=O)c1nccc(c1)c1n[nH]nn1 | ||
| Standard InChI: InChI=1S/C7H6N6O2/c14-7(11-15)5-3-4(1-2-8-5)6-9-12-13-10-6/h1-3,15H,(H,11,14)(H,9,10,12,13) | ||
| Molecular Formula: C7H6N6O2 | Mol. Weight: 206.16154 | Heavy Atoms: 15 |
| Charge: 0 | Is Chiral: False | logP: -0.2284 |
| HBD: 3 | HBA: 7 | TPSA: 116.68 |
| #Bonds: 17 | #Rotatable Bonds: 3 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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