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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
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

Structural Alerts

There are 5 structural alerts for CHEMBL1181633. To view alerts please click here.

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
13.55 - -3.28 -3.28 2 25 0.74

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
ChEBI 44107
DrugBank DB03895
DSSTox 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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