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Ligand Download |
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| Ligand Name: 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine | ||
| HET ID: NBR | PubChem: 90467111 | |
| DrugBank: - | ChEMBL: CHEMBL4302556 | |
| Canonical SMILES: CN(c1cc[n+](cc1)Cc1ccc(cc1)OCCOc1ccc(cc1)C[n+]1ccc(cc1)N(C)C)C | ||
| Standard InChI: InChI=1S/C30H36N4O2/c1-31(2)27-13-17-33(18-14-27)23-25-5-9-29(10-6-25)35-21-22-36-30-11-7-26(8-12-30)24-34-19-15-28(16-20-34)32(3)4/h5-20H,21-24H2,1-4H3/q+2 | ||
| Molecular Formula: C30H36N4O2++ | Mol. Weight: 484.63245 | Heavy Atoms: 36 |
| Charge: 2 | Is Chiral: False | logP: 3.948 |
| HBD: 0 | HBA: 4 | TPSA: 32.7 |
| #Bonds: 39 | #Rotatable Bonds: 11 | Shape Complexity: 0.26666668 |
| Stereocomplexity: 0.0 | ||