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Ligand Download |
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| Ligand Name: 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine | ||
| HET ID: QTH | PubChem: 154584335 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: c1ccc(cc1)c1ccc(cc1)C[n+]1ccc(cc1)N1CCCC1 | ||
| Standard InChI: InChI=1S/C22H23N2/c1-2-6-20(7-3-1)21-10-8-19(9-11-21)18-23-16-12-22(13-17-23)24-14-4-5-15-24/h1-3,6-13,16-17H,4-5,14-15,18H2/q+1 | ||
| Molecular Formula: C22H23N2+ | Mol. Weight: 315.43143 | Heavy Atoms: 24 |
| Charge: 1 | Is Chiral: False | logP: 4.3546 |
| HBD: 0 | HBA: 1 | TPSA: 7.12 |
| #Bonds: 27 | #Rotatable Bonds: 4 | Shape Complexity: 0.22727273 |
| Stereocomplexity: 0.0 | ||