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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1624506
CHEMBL1624506
Compound Name E122
ChEMBL Synonyms E122
Max Phase 0
Trade Names
Molecular Formula C20H14N2O7S2

Additional synonyms for CHEMBL1624506 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1c(cc(c2ccccc12)S(=O)(=O)O)N=Nc3ccc(c4ccccc34)S(=O)(=O)O
Standard InChI InChI=1S/C20H14N2O7S2/c23-20-15-8-4-3-7-14(15)19(31(27,28)29 ...
Download InChI
Standard InChI Key TVWOWDDBXAFQDG-QURGRASLSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1624506

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
458.5 458.0242 4.44 4 170.45 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.6 - .05 -4.59 4 31 0.3

Structural Alerts

There are 12 structural alerts for CHEMBL1624506. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TVWOWDDBXAFQDG-QURGRASLSA-N
Wikipedia Azorubine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1624506



ACToR 13613-55-3
EPA CompTox Dashboard DTXSID8047216
FDA SRS 83344C2N7U
Nikkaji J277.958G
SureChEMBL SCHEMBL110093
ZINC ZINC000004411270

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