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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL224392
CHEMBL224392
Compound Name THIOFLAVIN T
ChEMBL Synonyms Thioflavin T
Max Phase 0
Trade Names
Molecular Formula C17H19ClN2S

Additional synonyms for CHEMBL224392 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].CN(C)c1ccc(cc1)c2sc3cc(C)ccc3[n+]2C
Standard InChI InChI=1S/C17H19N2S.ClH/c1-12-5-10-15-16(11-12)20-17(19(15)4) ...
Download InChI
Standard InChI Key JADVWWSKYZXRGX-UHFFFAOYSA-M

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL224392

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
283.4 283.1269 4.92 2 35.36 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
- .78 1.34 1.34 3 20 0.61

Structural Alerts

There are 1 structural alerts for CHEMBL224392. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JADVWWSKYZXRGX-UHFFFAOYSA-M
Wikipedia Thioflavin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL224392



ACToR 2390-54-7 1326-12-1
ChEBI 76023
eMolecules 532278
Mcule MCULE-5464762736
MolPort MolPort-003-894-983
PubChem 16953 622721
PubChem: Thomson Pharma 14752602
SureChEMBL SCHEMBL25298

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