 |
| Ligand Name:
5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile |
| HET ID: LQG |
PubChem:
137349703
|
| DrugBank: - |
ChEMBL: CHEMBL4063655 |
| Canonical SMILES: N#Cc1ccc2n(c1NCc1ccco1)cnn2 |
| Standard InChI: InChI=1S/C12H9N5O/c13-6-9-3-4-11-16-15-8-17(11)12(9)14-7-10-2-1-5-18-10/h1-5,8,14H,7H2 |
| Molecular Formula: C12H9N5O |
Mol. Weight: 239.23276 |
Heavy Atoms: 18 |
| Charge: 0 |
Is Chiral: False |
logP: 1.87908 |
| HBD: 1 |
HBA: 6 |
TPSA: 79.15 |
| #Bonds: 20 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.09090909 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |