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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL368082
CHEMBL368082
Compound Name E126
ChEMBL Synonyms E126
Max Phase 0
Trade Names
Molecular Formula C20H10N2Na4O14S4

Additional synonyms for CHEMBL368082 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].[Na+].[Na+].Oc1cc(c2ccccc2c1N=Nc3c(O)c(cc4cc(cc( ...
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Standard InChI InChI=1S/C20H14N2O14S4.4Na/c23-13-8-14(38(28,29)30)11-3-1-2- ...
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Standard InChI Key JHKAFWLXWFUMPM-UHFFFAOYSA-J

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL368082

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
634.6 633.9328 2.86 6 316.18 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 6 3 16 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.95 - -5.14 -12.4 4 40 0.13

Structural Alerts

There are 14 structural alerts for CHEMBL368082. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JHKAFWLXWFUMPM-UHFFFAOYSA-J
Wikipedia Ponceau_6R

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL368082




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