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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL219050
CHEMBL219050
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14O4

Additional synonyms for CHEMBL219050 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(O)ccc1\C=C\c2cc(O)cc(O)c2
Standard InChI InChI=1S/C15H14O4/c1-19-15-9-12(16)5-4-11(15)3-2-10-6-13(17) ...
Download InChI
Standard InChI Key CFQSTARVCGBYNJ-NSCUHMNNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL219050

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
258.3 258.0892 2.98 3 69.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.16 - 3.71 3.7 2 19 0.74

Structural Alerts

There are 3 structural alerts for CHEMBL219050. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CFQSTARVCGBYNJ-NSCUHMNNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL219050



BindingDB 50193668
MolPort MolPort-039-338-684
Nikkaji J1.481.723I
PubChem 44419358
SureChEMBL SCHEMBL17675281
ZINC ZINC000040576475

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