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ChEMBL Statistics
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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

Structural Alerts

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

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
4.29 - -2.31 -5.3 4 40 0.13

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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