Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: JH368G5B9M

Structure

InChI Key XEDONBRPTABQFB-UHFFFAOYSA-N
Smile O=Cc1c(O)cccc1OCc1ccc(C(=O)O)cc1
InChI
InChI=1S/C15H12O5/c16-8-12-13(17)2-1-3-14(12)20-9-10-4-6-11(7-5-10)15(18)19/h1-8,17H,9H2,(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12O5
Molecular Weight 272.26
AlogP 2.48
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 83.83
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 20.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 2 D015658 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 84290-27-7
ChEMBL CHEMBL2104482
DrugBank DB13027
EPA CompTox DTXSID70233247
FDA SRS JH368G5B9M
PubChem 55223
SureChEMBL SCHEMBL600942
ZINC ZINC000000010202