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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

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

Structural Alerts

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

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
BindingDB 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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