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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL32571
CHEMBL32571
Compound Name
ChEMBL Synonyms NSC-34875
Max Phase 0
Trade Names
Molecular Formula C15H12O5

Additional synonyms for CHEMBL32571 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2
Standard InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10 ...
Download InChI
Standard InChI Key FTVWIRXFELQLPI-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL32571

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
272.3 272.0685 2.51 1 86.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.52 - 2.63 2.23 2 20 0.74

Structural Alerts

There are 3 structural alerts for CHEMBL32571. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FTVWIRXFELQLPI-UHFFFAOYSA-N
PubChem SID: 11533047 SID: 124883075 SID: 124883076 SID: 174006535 SID: 26664470 SID: 26749980 SID: 26753777

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL32571



ACToR 67604-48-2
BindingDB 19461
Brenda 128392 125033 58861 12377
ChEBI 50202
ChemicalBook CB1325313 CB5325311
eMolecules 529508
EPA CompTox Dashboard DTXSID50274239
Human Metabolome Database HMDB0128074
IBM Patent System 602CB6E8848A032C07A86CF04A2082CE
LINCS LSM-1927
Mcule MCULE-5489217450
MolPort MolPort-000-861-091
Nikkaji J6.165D
PubChem 932
PubChem: Thomson Pharma 14942175
SureChEMBL SCHEMBL20571

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FTVWIRXFELQLPI-UHFFFAOYSA-N spacer
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