 |
| 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 |
Ligand Type: Small Molecule |