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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1616414
CHEMBL1616414
Compound Name RESAZURIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H7NO4

Additional synonyms for CHEMBL1616414 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc2c(OC3=CC(=O)C=CC3=[N+]2[O-])c1
Standard InChI InChI=1S/C12H7NO4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12) ...
Download InChI
Standard InChI Key PLXBWHJQWKZRKG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1616414

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
229.2 229.0375 0.79 0 75.28 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.71 - -.07 -.84 1 17 0.41

Structural Alerts

There are 10 structural alerts for CHEMBL1616414. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PLXBWHJQWKZRKG-UHFFFAOYSA-N
PubChem SID: 75737
Wikipedia Resazurin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1616414



ACToR 550-82-3 153796-08-8
ChEBI 8806
eMolecules 5758035
EPA CompTox Dashboard DTXSID4060280
FDA SRS 1FN9YD6968
IBM Patent System 7CA32BBCCD84A7FD646AE9D16303141B
KEGG Ligand C11178
Nikkaji J13.744H
PubChem 11077
PubChem: Thomson Pharma 14794612
SureChEMBL SCHEMBL6338
ZINC ZINC000003793896

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