Structure

InChI Key CJAVTWRYCDNHSM-UHFFFAOYSA-N
Smile CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1
InChI
InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20F3NO2
Molecular Weight 351.37
AlogP 4.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 38.33
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Acyl coenzyme A:cholesterol acyltransferase 1 inhibitor PubMed PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 23602-78-0
ChEBI 93826
ChEMBL CHEMBL400599
DrugBank DB09022
DrugCentral 307
EPA CompTox DTXSID5048471
FDA SRS 403FO0NQG3
PubChem 2318
SureChEMBL SCHEMBL163648