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Ligand Download |
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| Ligand Name: 1-((4'-((6-amino-3H-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium | ||
| HET ID: U85 | PubChem: 57391758, 136098581 | |
| DrugBank: - | ChEMBL: CHEMBL1963130 | |
| Canonical SMILES: CN(c1cc[n+](cc1)Cc1ccc(cc1)c1ccc(cc1)Cn1cnc(c2c1ncn2)N)C | ||
| Standard InChI: InChI=1S/C26H26N7/c1-31(2)23-11-13-32(14-12-23)15-19-3-7-21(8-4-19)22-9-5-20(6-10-22)16-33-18-30-25(27)24-26(33)29-17-28-24/h3-14,17-18H,15-16,27H2,1-2H3/q+1 | ||
| Molecular Formula: C26H26N7+ | Mol. Weight: 436.53156 | Heavy Atoms: 33 |
| Charge: 1 | Is Chiral: False | logP: 4.1068 |
| HBD: 1 | HBA: 6 | TPSA: 76.74 |
| #Bonds: 37 | #Rotatable Bonds: 6 | Shape Complexity: 0.15384616 |
| Stereocomplexity: 0.0 | ||