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Ligand Download |
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| 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 | ||