 |
| Ligand Name:
4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile |
| HET ID: LQA |
PubChem:
17581883
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(c(c1)OC)OC(C)C |
| Standard InChI: InChI=1S/C25H23N3O4/c1-14(2)32-21-5-4-15(8-22(21)29-3)17-10-20-18-11-24-23(30-13-31-24)9-16(18)6-7-28(20)25(27)19(17)12-26/h4-5,8-11,14,27H,6-7,13H2,1-3H3 |
| Molecular Formula: C25H23N3O4 |
Mol. Weight: 429.46783 |
Heavy Atoms: 32 |
| Charge: 0 |
Is Chiral: False |
logP: 4.35358 |
| HBD: 1 |
HBA: 7 |
TPSA: 89.49 |
| #Bonds: 36 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.29166666 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |