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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

Structural Alerts

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

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

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
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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