 |
| Ligand Name:
{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone |
| HET ID: QXY |
PubChem:
49091502
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCN1CCN(CC1)C(=O)c1ccc(cc1)Cn1nc(cc1C)C |
| Standard InChI: InChI=1S/C19H26N4O/c1-4-21-9-11-22(12-10-21)19(24)18-7-5-17(6-8-18)14-23-16(3)13-15(2)20-23/h5-8,13H,4,9-12,14H2,1-3H3 |
| Molecular Formula: C19H26N4O |
Mol. Weight: 326.43594 |
Heavy Atoms: 24 |
| Charge: 0 |
Is Chiral: False |
logP: 2.2017 |
| HBD: 0 |
HBA: 5 |
TPSA: 41.37 |
| #Bonds: 26 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.47368422 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |