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Ligand Download |
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| Ligand Name: 4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium | ||
| HET ID: G8S | PubChem: 72699171 | |
| DrugBank: - | ChEMBL: CHEMBL3140256 | |
| Canonical SMILES: Clc1ccc(cc1)N(c1cc[n+](cc1)Cc1ccc(cc1)CCCCc1ccc(cc1)C[n+]1ccc(cc1)N(C)C)C | ||
| Standard InChI: InChI=1S/C37H41ClN4/c1-39(2)35-20-24-41(25-21-35)28-32-12-8-30(9-13-32)6-4-5-7-31-10-14-33(15-11-31)29-42-26-22-37(23-27-42)40(3)36-18-16-34(38)17-19-36/h8-27H,4-7,28-29H2,1-3H3/q+2 | ||
| Molecular Formula: C37H41ClN4++ | Mol. Weight: 577.20123 | Heavy Atoms: 42 |
| Charge: 2 | Is Chiral: False | logP: 7.4109 |
| HBD: 0 | HBA: 1 | TPSA: 14.24 |
| #Bonds: 46 | #Rotatable Bonds: 12 | Shape Complexity: 0.24324325 |
| Stereocomplexity: 0.0 | ||