 |
| 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 |
Ligand Type: Small Molecule |