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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65508
CHEMBL65508
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H12O4

Additional synonyms for CHEMBL65508 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1OCc2c1cc3ccccc3c2c4ccc5OCOc5c4
Standard InChI InChI=1S/C19H12O4/c20-19-14-7-11-3-1-2-4-13(11)18(15(14)9-21 ...
Download InChI
Standard InChI Key WBTJWOYZIWBQQO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65508

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
304.3 304.0736 3.91 1 44.76 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.03 4.03 3 23 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL65508. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WBTJWOYZIWBQQO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65508



BindingDB 50280970
PubChem 44305234
ZINC ZINC000026181808

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