Structure

InChI Key DCXFIOLWWRXEQH-SSDOTTSWSA-N
Smile COCc1nn2c(CN3C[C@@H](CC(F)(F)Cl)CC3=O)c(C(F)(F)F)nc2s1
InChI
InChI=1S/C14H14ClF5N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3/t7-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14ClF5N4O2S
Molecular Weight 432.8
AlogP 3.53
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 59.73
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST GABA-A receptor; anion channel partial agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Epilepsy 2 D004827 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1294000-61-5
ChEMBL CHEMBL4297521
DrugBank DB14977
FDA SRS 0R1HN52K0N
PubChem 52911611
SureChEMBL SCHEMBL1672843