Structure

InChI Key BYFMCKSPFYVMOU-UHFFFAOYSA-N
Smile O=C(O)COc1nn(Cc2ccccc2)c2ccccc12
InChI
InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H14N2O3
Molecular Weight 282.3
AlogP 2.55
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 64.35
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Xanthine dehydrogenase inhibitor PubMed PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31257
ChEMBL CHEMBL1089221
DrugBank DB13501
DrugCentral 303
EPA CompTox DTXSID1048334
FDA SRS G4AG71204O
PubChem 2313
SureChEMBL SCHEMBL25979
ZINC ZINC000000001000