Structure

InChI Key GVVUZBSCYAVFTI-IYARVYRRSA-N
Smile O=c1[nH]c(=O)c(Cc2cccc(C(F)(F)F)c2)c([C@H]2CC[C@H](c3ccccc3)CC2)[nH]1
InChI
InChI=1S/C24H23F3N2O2/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(28-23(31)29-22(20)30)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18H,9-12,14H2,(H2,28,29,30,31)/t17-,18-

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H23F3N2O2
Molecular Weight 428.45
AlogP 5.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 65.72
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Weight Gain 2 D015430 ClinicalTrials
Alcoholism 2 D000437 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297602
DrugBank DB16234
FDA SRS 311Y5GV21M
Guide to Pharmacology 10059
SureChEMBL SCHEMBL14789264
ZINC ZINC000101598460