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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL403063
CHEMBL403063
Compound Name NITROBLUE TETRAZOLIUM CHLORIDE
ChEMBL Synonyms NITROBLUE TETRAZOLIUM CHLORIDE
Max Phase 0
Trade Names
Molecular Formula C40H30N10O6.2Cl

Additional synonyms for CHEMBL403063 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].[Cl-].COc1cc(ccc1n2nc(n[n+]2c3ccc(cc3)[N+](=O)[O-])c4c ...
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Standard InChI InChI=1S/C40H30N10O6.2ClH/c1-55-37-25-29(13-23-35(37)47-43-3 ...
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Standard InChI Key FSVCQIDHPKZJSO-UHFFFAOYSA-L

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL403063

Molecule Features

CHEMBL403063 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
746.7 746.235 8.97 11 179.28 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 0 2 16 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.33 5.33 8 56 0.07

Structural Alerts

There are 8 structural alerts for CHEMBL403063. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FSVCQIDHPKZJSO-UHFFFAOYSA-L
PubChem SID: 144206115
Wikipedia Nitro_blue_tetrazolium_chloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL403063



ACToR 38184-50-8 298-83-9 121287-37-4
Brenda 55476 30282
ChEBI 9505
eMolecules 529940 28205961
EPA CompTox Dashboard DTXSID6046719
FDA SRS X44P41F7ZK
KEGG Ligand C13503
MolPort MolPort-001-786-426
PubChem 9281
PubChem: Thomson Pharma 14913908
SureChEMBL SCHEMBL5837354

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