|
Ligand Download |
||
 | ||
| Ligand Name: 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole | ||
| HET ID: FWA | PubChem: 134814234 | |
| DrugBank: - | ChEMBL: CHEMBL4213025 | |
| Canonical SMILES: CN1CCN(CC1)c1cc(Cl)cc2c1nc(n2Cc1cc(C)c(c(c1)C)F)N1CC2(C1)CNC2 | ||
| Standard InChI: InChI=1S/C26H32ClFN6/c1-17-8-19(9-18(2)23(17)28)12-34-22-11-20(27)10-21(32-6-4-31(3)5-7-32)24(22)30-25(34)33-15-26(16-33)13-29-14-26/h8-11,29H,4-7,12-16H2,1-3H3 | ||
| Molecular Formula: C26H32ClFN6 | Mol. Weight: 483.0239 | Heavy Atoms: 34 |
| Charge: 0 | Is Chiral: False | logP: 4.052 |
| HBD: 1 | HBA: 6 | TPSA: 39.57 |
| #Bonds: 39 | #Rotatable Bonds: 4 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.0 | ||