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Ligand Download |
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| Ligand Name: (1~{R})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol | ||
| HET ID: 5PZ | PubChem: 1364574 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O[C@H](c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)Cc1ccccc1C | ||
| Standard InChI: InChI=1S/C23H21Cl2N3O/c1-15-6-2-3-7-17(15)13-27-20-8-4-5-9-21(20)28(23(27)26)14-22(29)16-10-11-18(24)19(25)12-16/h2-12,22,26,29H,13-14H2,1H3/t22-/m0/s1 | ||
| Molecular Formula: C23H21Cl2N3O | Mol. Weight: 426.33835 | Heavy Atoms: 29 |
| Charge: 0 | Is Chiral: True | logP: 5.4191 |
| HBD: 2 | HBA: 4 | TPSA: 53.94 |
| #Bonds: 33 | #Rotatable Bonds: 5 | Shape Complexity: 0.17391305 |
| Stereocomplexity: 0.04347826 | ||