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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL275516
CHEMBL275516
Compound Name CANTHARIDIC_ACID
ChEMBL Synonyms Cantharidic Acid
Max Phase 0
Trade Names
Molecular Formula C10H14O5

Additional synonyms for CHEMBL275516 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C2CCC(O2)C1(C)C(=O)O)C(=O)O
Standard InChI InChI=1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h ...
Download InChI
Standard InChI Key NMTNUQBORQILRK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL275516

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
214.2 214.0841 0.5 2 83.83 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.7 - .64 -3.69 0 15 0.7

Structural Alerts

There are 1 structural alerts for CHEMBL275516. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NMTNUQBORQILRK-UHFFFAOYSA-N
PubChem SID: 50106081 SID: 50106082 SID: 85230983 SID: 90341775
Wikipedia Cantharidic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL275516



eMolecules 1934422
IBM Patent System 9998A2AE5344C8431860C72AE6A576EA
PubChem 2544
PubChem: Thomson Pharma 57559455
SureChEMBL SCHEMBL943636

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