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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL429694
CHEMBL429694
Compound Name CONGO RED
ChEMBL Synonyms NSC-75913 | CONGAZONE SODIUM | CONGO RED
Max Phase 0
Trade Names
Molecular Formula C32H22N6Na2O6S2

Additional synonyms for CHEMBL429694 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].Nc1c(cc(c2ccccc12)S(=O)(=O)[O-])N=Nc3ccc(cc3)c4c ...
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Standard InChI InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,4 ...
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Standard InChI Key IQFVPQOLBLOTPF-HKXUKFGYSA-L

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL429694

Molecule Features

CHEMBL429694 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

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
652.7 652.1199 7.08 7 226.98 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 4 3 12 6 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.82 2.19 2.28 -2.22 6 46 0.08

Structural Alerts

There are 16 structural alerts for CHEMBL429694. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IQFVPQOLBLOTPF-HKXUKFGYSA-L
PubChem SID: 144205158 SID: 144210132
Wikipedia Congo_red

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL429694



ACToR 550-08-3 573-58-0
Brenda 152803 130371
eMolecules 1970922
EPA CompTox Dashboard DTXSID4022816
FDA SRS 3U05FHG59S
MolPort MolPort-002-320-629 MolPort-035-765-963
Nikkaji J6.549H
PDBe CGO
PubChem: Thomson Pharma 14913101
SureChEMBL SCHEMBL25635

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IQFVPQOLBLOTPF-HKXUKFGYSA-L spacer
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