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Ligand Download |
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| Ligand Name: 1-(5-phenylpyridin-3-yl)-1,4-diazepane | ||
| HET ID: 09Q | PubChem: 10777277 | |
| DrugBank: - | ChEMBL: CHEMBL303889 | |
| Canonical SMILES: N1CCCN(CC1)c1cncc(c1)c1ccccc1 | ||
| Standard InChI: InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2 | ||
| Molecular Formula: C16H19N3 | Mol. Weight: 253.34216 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: False | logP: 2.9421 |
| HBD: 1 | HBA: 3 | TPSA: 28.16 |
| #Bonds: 21 | #Rotatable Bonds: 2 | Shape Complexity: 0.3125 |
| Stereocomplexity: 0.0 | ||