 |
| 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 |
Ligand Type: Small Molecule |