 |
| Ligand Name:
2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one |
| HET ID: HA6 |
PubChem:
114286470,
135567124
|
| DrugBank: - |
ChEMBL: CHEMBL3770916 |
| Canonical SMILES: O=c1[nH]c(Oc2c[nH]nc2)nc2c1ccnc2 |
| Standard InChI: InChI=1S/C10H7N5O2/c16-9-7-1-2-11-5-8(7)14-10(15-9)17-6-3-12-13-4-6/h1-5H,(H,12,13)(H,14,15,16) |
| Molecular Formula: C10H7N5O2 |
Mol. Weight: 229.19489 |
Heavy Atoms: 17 |
| Charge: 0 |
Is Chiral: False |
logP: 0.8335 |
| HBD: 2 |
HBA: 5 |
TPSA: 96.55 |
| #Bonds: 21 |
#Rotatable Bonds: 2 |
Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |