Ligand |
||
 | ||
| Ligand Name: 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole | ||
| HET ID: FVJ | PubChem: 134814236 | |
| DrugBank: - | ChEMBL: CHEMBL4217599 | |
| Canonical SMILES: Clc1cc(c2c(C)n[nH]c2C)c2c(c1)n(Cc1cc(C)c(c(c1)C)F)c(n2)N1CCNCC1 | ||
| Standard InChI: InChI=1S/C25H28ClFN6/c1-14-9-18(10-15(2)23(14)27)13-33-21-12-19(26)11-20(22-16(3)30-31-17(22)4)24(21)29-25(33)32-7-5-28-6-8-32/h9-12,28H,5-8,13H2,1-4H3,(H,30,31) | ||
| Molecular Formula: C25H28ClFN6 | Mol. Weight: 466.9814 | Heavy Atoms: 33 |
| Charge: 0 | Is Chiral: False | logP: 5.3042 |
| HBD: 2 | HBA: 5 | TPSA: 61.77 |
| #Bonds: 38 | #Rotatable Bonds: 4 | Shape Complexity: 0.36 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |