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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL337583
CHEMBL337583
Compound Name CPCCOET
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H13NO4

Additional synonyms for CHEMBL337583 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)[C@]12CC1\C(=N/O)\c3ccccc3O2
Standard InChI InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4- ...
Download InChI
Standard InChI Key FXCTZFMSAHZQTR-ZBUQWEBQSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL337583

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
247.3 247.0845 1.76 3 68.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.75 - 2.86 2.86 1 18 0.5

Structural Alerts

There are 10 structural alerts for CHEMBL337583. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FXCTZFMSAHZQTR-ZBUQWEBQSA-N
Wikipedia CPCCOEt

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL337583



PubChem 44358757

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