Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: RXQ128313W

Structure

InChI Key NETTXQJYJRFTFS-UHFFFAOYSA-N
Smile Cc1ccc(=O)n(-c2ccc(O)cc2)c1
InChI
InChI=1S/C12H11NO2/c1-9-2-7-12(15)13(8-9)10-3-5-11(14)6-4-10/h2-8,14H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H11NO2
Molecular Weight 201.22
AlogP 1.85
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 42.23
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 15.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis B, Chronic 2 D019694 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 851518-71-3
ChEMBL CHEMBL4297288
DrugBank DB06299
EPA CompTox DTXSID40459058
FDA SRS RXQ128313W
PubChem 11217901
SureChEMBL SCHEMBL143564
ZINC ZINC000021981322