 |
| Ligand Name:
[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine |
| HET ID: EJE |
PubChem:
138115329
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: NCc1cc(C)c(c(c1)C)c1ncn(c1c1ccnc2c1ccc(c2)F)C |
| Standard InChI: InChI=1S/C22H21FN4/c1-13-8-15(11-24)9-14(2)20(13)21-22(27(3)12-26-21)18-6-7-25-19-10-16(23)4-5-17(18)19/h4-10,12H,11,24H2,1-3H3 |
| Molecular Formula: C22H21FN4 |
Mol. Weight: 360.42734 |
Heavy Atoms: 27 |
| Charge: 0 |
Is Chiral: False |
logP: 5.2172 |
| HBD: 1 |
HBA: 4 |
TPSA: 56.73 |
| #Bonds: 30 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.18181819 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |