 |
| 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 |
Ligand Type: Small Molecule |