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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1625720
CHEMBL1625720
Compound Name DIQUAT
ChEMBL Synonyms Diquat
Max Phase 0
Trade Names
Molecular Formula C12H12N2+2

Additional synonyms for CHEMBL1625720 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1C[n+]2ccccc2c3cccc[n+]13
Standard InChI InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/ ...
Download InChI
Standard InChI Key SYJFEGQWDCRVNX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1625720

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
184.2 184.099 0.94 0 7.76 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -1.87 -1.87 2 14 0.54

Structural Alerts

There are 3 structural alerts for CHEMBL1625720. To view alerts please click here.

Compound Cross References

HRAC D - PHOTOSYSTEM-I-ELECTRON DIVERSION
D1 - BIPYRIDYLIUM
D11 - DIQUAT
ChemSpider ChemSpider:SYJFEGQWDCRVNX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1625720



ACToR 2764-72-9
Brenda 57385
ChEBI 64163
EPA CompTox Dashboard DTXSID6034554
FDA SRS A9A615U4MP
IBM Patent System 495C631E9A9EB3FCC2FEFA346754E4FD
KEGG Ligand C18577
Mcule MCULE-1928612410
Nikkaji J4.415F
PubChem 6795
PubChem: Thomson Pharma 15340043
SureChEMBL SCHEMBL52885
ZINC ZINC000000043472

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