 |
| Ligand Name:
5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile |
| HET ID: LQF |
PubChem:
29111296
|
| DrugBank: - |
ChEMBL: CHEMBL4096234 |
| Canonical SMILES: N#Cc1c2CCN(Cc2c2n(c1NCc1ccco1)cnn2)Cc1ccccc1 |
| Standard InChI: InChI=1S/C22H20N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-7,10,15,24H,8-9,12-14H2 |
| Molecular Formula: C22H20N6O |
Mol. Weight: 384.4338 |
Heavy Atoms: 29 |
| Charge: 0 |
Is Chiral: False |
logP: 3.37528 |
| HBD: 1 |
HBA: 7 |
TPSA: 82.39 |
| #Bonds: 33 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.23809524 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |