Structure

InChI Key YMTINGFKWWXKFG-UHFFFAOYSA-N
Smiles CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChI
InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21ClO4
Molecular Weight 360.84
AlogP 4.68
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 52.6
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor alpha agonist AGONIST DailyMed
Protein: Peroxisome proliferator-activated receptor alpha

Description: Peroxisome proliferator-activated receptor alpha

Organism : Homo sapiens

Q07869 ENSG00000186951

Related Entries

Cross References

Resources Reference
ChEBI 5001
ChEMBL CHEMBL672
DrugBank DB01039
DrugCentral 1152
FDA SRS U202363UOS
Human Metabolome Database HMDB0015173
Guide to Pharmacology 7186
KEGG C07586
PharmGKB PA449594
PubChem 3339
SureChEMBL SCHEMBL4670
ZINC ZINC000000584092