 |
| Ligand Name:
7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| HET ID: 50P |
PubChem:
78426698
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: N#Cc1cnn2c1[nH]c(c1ccccc1)c(c2=O)C(C)C |
| Standard InChI: InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3 |
| Molecular Formula: C16H14N4O |
Mol. Weight: 278.30856 |
Heavy Atoms: 21 |
| Charge: 0 |
Is Chiral: False |
logP: 2.68468 |
| HBD: 1 |
HBA: 4 |
TPSA: 73.95 |
| #Bonds: 24 |
#Rotatable Bonds: 2 |
Shape Complexity: 0.2 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |