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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL480627
CHEMBL480627
Compound Name CYCLOPIAZONIC ACID
ChEMBL Synonyms Alpha-Cyclopiazonic Acid | Cyclopiazonic Acid
Max Phase 0
Trade Names
Molecular Formula C20H20N2O3

Additional synonyms for CHEMBL480627 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)C1=C(O)[C@@H]2[C@@H]3[C@@H](Cc4cccc5[nH]cc3c45)C(C)(C) ...
Download SMILES
Standard InChI InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5- ...
Download InChI
Standard InChI Key SZINUGQCTHLQAZ-DQYPLSBCSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL480627

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
336.4 336.1474 2.83 1 73.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 - 1.7 -1.09 2 25 0.79

Structural Alerts

There are 2 structural alerts for CHEMBL480627. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SZINUGQCTHLQAZ-DQYPLSBCSA-N
Wikipedia Cyclopiazonic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL480627



ChEBI 22450
eMolecules 10227402
EPA CompTox Dashboard DTXSID00891798
FDA SRS X9TLY4580Z
Guide to Pharmacology 5350
Metabolights MTBLC22450
MolPort MolPort-003-983-745
Nikkaji J9.278I
PubChem 54682463
PubChem: Thomson Pharma 15471035 14924618
SureChEMBL SCHEMBL15049041
ZINC ZINC000100061481

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