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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1181633
CHEMBL1181633
Compound Name BRILLIANT GREEN
ChEMBL Synonyms Brilliant Green | Basic Green | Basic Bright Green Oxalate
Max Phase 0
Trade Names
Molecular Formula C23H25N2

Additional synonyms for CHEMBL1181633 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3
Standard InChI InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7 ...
Download InChI
Standard InChI Key VFCNQNZNPKRXIT-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1181633

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 CHEMBL1181633. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VFCNQNZNPKRXIT-UHFFFAOYSA-N
Wikipedia Brilliant_Green_(dye)

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1181633



ACToR 10309-95-2
BindingDB 214729
ChEBI 44107
DrugBank DB03895
EPA CompTox Dashboard DTXSID3043784
FDA SRS AWT9R95TV1
IBM Patent System EEB63B2CBAE9B85E77CCBB6B7BD59C58 158DFD2696CAC439B6049B0C683A46E1
Mcule MCULE-9098073462
Nikkaji J366.497J J1.858I
PDBe MGR
PubChem 11295
PubChem: Thomson Pharma 131470518
SureChEMBL SCHEMBL171205
ZINC ZINC03953819

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