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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL263116
CHEMBL263116
Compound Name DIMETHYL YELLOW
ChEMBL Synonyms dimethyl yellow
Max Phase 0
Trade Names
Molecular Formula C14H15N3

Additional synonyms for CHEMBL263116 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1ccc(cc1)N=Nc2ccccc2
Standard InChI InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3- ...
Download InChI
Standard InChI Key JCYPECIVGRXBMO-FOCLMDBBSA-N

Structural Alerts

There are 8 structural alerts for CHEMBL263116. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL263116

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
225.3 225.1266 4.36 3 27.96 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.29 4.53 4.53 2 17 0.73

Compound Cross References

ChemSpider ChemSpider:JCYPECIVGRXBMO-FOCLMDBBSA-N
PubChem SID: 124890117 SID: 17389913
Wikipedia Methyl_yellow

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL263116



ACToR 55964-95-9 60-11-7
BindinDB 115181
FDA SRS A49L8E13FD
MolPort MolPort-001-785-604
Nikkaji J2.203.934B J2.203.933D J1.922D
PubChem: Thomson Pharma 14773689
SureChEMBL SCHEMBL187589
ZINC ZINC03852714

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