Structure

InChI Key FSVJFNAIGNNGKK-KRWDZBQOSA-N
Smiles O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1
InChI
InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2/t17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24N2O2
Molecular Weight 312.41
AlogP 2.53
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.62
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Schistosoma mansoni
500 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL1235551
DrugBank DB11749
FDA SRS WF15T5925V
PDB PZQ
SureChEMBL SCHEMBL16019898
ZINC ZINC000000000655