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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL186357
CHEMBL186357
Compound Name BRILLIANT GREEN HYDROCHLORIDE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H25N2.Cl

Additional synonyms for CHEMBL186357 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3
Standard InChI InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6 ...
Download InChI
Standard InChI Key FDZZZRQASAIRJF-UHFFFAOYSA-M

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL186357

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
329.5 329.2018 4.76 3 6.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.77 .59 .59 2 25 0.74

Structural Alerts

There are 5 structural alerts for CHEMBL186357. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FDZZZRQASAIRJF-UHFFFAOYSA-M
PubChem SID: 251919686
Wikipedia Malachite_green

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL186357



ACToR 55172-50-4 569-64-2
Brenda 171051 13292 171052
ChEBI 72449
eMolecules 620459
EPA CompTox Dashboard DTXSID1025512
FDA SRS 12058M7ORO
KEGG Ligand C18367
MolPort MolPort-003-662-629
PubChem 11294
PubChem: Thomson Pharma 14926182 14803667
SureChEMBL SCHEMBL28216

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