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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL138718
CHEMBL138718
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H14O2

Additional synonyms for CHEMBL138718 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc2ccccc2c1c3c(O)ccc4ccccc34
Standard InChI InChI=1S/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8 ...
Download InChI
Standard InChI Key PPTXVXKCQZKFBN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL138718

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
286.3 286.0994 4.68 1 40.46 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.29 - 4.86 4.81 4 22 0.53

Structural Alerts

There are no structural alerts for CHEMBL138718

Compound Cross References

ChemSpider ChemSpider:PPTXVXKCQZKFBN-UHFFFAOYSA-N
Wikipedia 1,1%27-Bi-2-naphthol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL138718



ACToR 41024-90-2 602-09-5 18531-94-7
eMolecules 477918
EPA CompTox Dashboard DTXSID9060526
IBM Patent System 8E539FF66E59057CE258BA623A1CBE35
Mcule MCULE-5022563443
MolPort MolPort-000-154-548
Nikkaji J54.937A J1.031.261B J1.031.260D J134.638E J1.055.781J J166.096I J1.055.782H
NMRShiftDB 20097246
PubChem 11762
PubChem: Thomson Pharma 14897828
SureChEMBL SCHEMBL29027
ZINC ZINC000001634292

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