Ligand |
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| Ligand Name: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM | ||
| HET ID: EBW | PubChem: 1338 | |
| DrugBank: - | ChEMBL: CHEMBL140020 | |
| Canonical SMILES: C=CC[N+](c1ccc(cc1)CCC(=O)CCc1ccc(cc1)[N+](CC=C)(C)C)(C)C | ||
| Standard InChI: InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2 | ||
| Molecular Formula: C27H38N2O++ | Mol. Weight: 406.60342 | Heavy Atoms: 30 |
| Charge: 2 | Is Chiral: False | logP: 5.3269 |
| HBD: 0 | HBA: 1 | TPSA: 17.07 |
| #Bonds: 31 | #Rotatable Bonds: 12 | Shape Complexity: 0.37037036 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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