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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL377545
CHEMBL377545
Compound Name CHROME AZUROL S
ChEMBL Synonyms Chrome Azurol S | Chrome Azurol
Max Phase 0
Trade Names
Molecular Formula C23H13Cl2Na3O9S

Additional synonyms for CHEMBL377545 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].[Na+].CC1=C\C(=C(\c2cc(C)c(O)c(c2)C(=O)[O-])/c3c ...
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Standard InChI InChI=1S/C23H16Cl2O9S.3Na/c1-9-5-11(7-13(20(9)26)22(28)29)17 ...
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Standard InChI Key FUIZKNBTOOKONL-DPSBJRLESA-K

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL377545

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
539.4 537.9892 4.29 5 166.27 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 1 9 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-1.56 - 1.78 -3.97 2 35 0.32

Structural Alerts

There are 10 structural alerts for CHEMBL377545. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FUIZKNBTOOKONL-DPSBJRLESA-K

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL377545



ACToR 1667-99-8
eMolecules 25688868
Nikkaji J7.754B
PubChem 101686466 54694372 59518668
PubChem: Thomson Pharma 74374634
SureChEMBL SCHEMBL465291

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FUIZKNBTOOKONL-DPSBJRLESA-K spacer
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