|
Ligand Download |
||
 | ||
| Ligand Name: [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine | ||
| HET ID: EHH | PubChem: 138115332 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: NCc1cc(C)c(c(c1)C)c1ncn(c1c1ccncc1)C | ||
| Standard InChI: InChI=1S/C18H20N4/c1-12-8-14(10-19)9-13(2)16(12)17-18(22(3)11-21-17)15-4-6-20-7-5-15/h4-9,11H,10,19H2,1-3H3 | ||
| Molecular Formula: C18H20N4 | Mol. Weight: 292.3782 | Heavy Atoms: 22 |
| Charge: 0 | Is Chiral: False | logP: 3.9249 |
| HBD: 1 | HBA: 4 | TPSA: 56.73 |
| #Bonds: 24 | #Rotatable Bonds: 3 | Shape Complexity: 0.22222222 |
| Stereocomplexity: 0.0 | ||