Ligand |
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| Ligand Name: ~{N}-(3-morpholin-4-ylpropyl)-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide | ||
| HET ID: CQT | PubChem: 135121925 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=C(c1nccc(c1)c1n[nH]nn1)NCCCN1CCOCC1 | ||
| Standard InChI: InChI=1S/C14H19N7O2/c22-14(16-3-1-5-21-6-8-23-9-7-21)12-10-11(2-4-15-12)13-17-19-20-18-13/h2,4,10H,1,3,5-9H2,(H,16,22)(H,17,18,19,20) | ||
| Molecular Formula: C14H19N7O2 | Mol. Weight: 317.34637 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: False | logP: 0.0426 |
| HBD: 2 | HBA: 8 | TPSA: 108.92 |
| #Bonds: 26 | #Rotatable Bonds: 7 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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