 |
| Ligand Name:
3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole |
| HET ID: EHQ |
PubChem:
95857692
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Cc1onc(c1c1n[nH]cc1c1ccncc1)C |
| Standard InChI: InChI=1S/C13H12N4O/c1-8-12(9(2)18-17-8)13-11(7-15-16-13)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,15,16) |
| Molecular Formula: C13H12N4O |
Mol. Weight: 240.26057 |
Heavy Atoms: 18 |
| Charge: 0 |
Is Chiral: False |
logP: 2.7435 |
| HBD: 1 |
HBA: 4 |
TPSA: 67.6 |
| #Bonds: 21 |
#Rotatable Bonds: 2 |
Shape Complexity: 0.15384616 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |