Ligand |
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| Ligand Name: 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one | ||
| HET ID: FO2 | PubChem: 138393333 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CN1CCC(CC1)c1cnn(c1)c1nccc2c1nc[nH]c2=O | ||
| Standard InChI: InChI=1S/C16H18N6O/c1-21-6-3-11(4-7-21)12-8-20-22(9-12)15-14-13(2-5-17-15)16(23)19-10-18-14/h2,5,8-11H,3-4,6-7H2,1H3,(H,18,19,23) | ||
| Molecular Formula: C16H18N6O | Mol. Weight: 310.35373 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: False | logP: 1.2509 |
| HBD: 1 | HBA: 6 | TPSA: 79.7 |
| #Bonds: 27 | #Rotatable Bonds: 2 | Shape Complexity: 0.375 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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