ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

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

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

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
spacer