Structure

InChI Key RJMIEHBSYVWVIN-UHFFFAOYSA-N
Smile CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1
InChI
InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H15NO3
Molecular Weight 281.31
AlogP 3.04
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 57.61
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor PubMed PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 76162
ChEMBL CHEMBL15870
DrugBank DB08951
DrugCentral 1442
EPA CompTox DTXSID5045831
FDA SRS CPE46ZU14N
PubChem 3718
SureChEMBL SCHEMBL25137