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Ligand Download |
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| Ligand Name: 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one | ||
| HET ID: FQ5 | PubChem: 127032023, 137175094 | |
| DrugBank: - | ChEMBL: CHEMBL3774537 | |
| Canonical SMILES: Cc1cnn(c1)c1nccc2c1nc[nH]c2=O | ||
| Standard InChI: InChI=1S/C11H9N5O/c1-7-4-15-16(5-7)10-9-8(2-3-12-10)11(17)14-6-13-9/h2-6H,1H3,(H,13,14,17) | ||
| Molecular Formula: C11H9N5O | Mol. Weight: 227.22206 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 0.8122 |
| HBD: 1 | HBA: 5 | TPSA: 76.46 |
| #Bonds: 20 | #Rotatable Bonds: 1 | Shape Complexity: 0.09090909 |
| Stereocomplexity: 0.0 | ||