Synonyms
Status
Molecule Category Free-form
UNII G9FWZ369GX

Structure

InChI Key OABRYNHZQBZDMG-INIZCTEOSA-N
Smiles C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC
InChI
InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H29FN2O3
Molecular Weight 364.46
AlogP 2.99
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 50.8
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.097 -
Sus scrofa
- - - 970 -

Cross References

Resources Reference
ChEMBL CHEMBL392158
DrugBank DB15167
FDA SRS G9FWZ369GX
PubChem 10021692
SureChEMBL SCHEMBL19222585
ZINC ZINC000006483622