Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

1357017 - Overview - Compound Synopsis

Synonyms
BECLOTIAMINEBeclotiamine
Molecular Formula
C12H16Cl2N4S
InChI
InChI=1S/C12H16ClN4S.ClH/c1-8-11(3-4-13)18-7-17(8)6-10-5-15-9(2)16-12(10)14;/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16);1H/q+1;/p-1
Smiles
Cc1ncc(C[n+]2csc(CCCl)c2C)c(N)n1.[Cl-]
Cross References
UniChem27272327
canSAR1357017
ChEMBLCHEMBL2104629
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 318.047272872-1.141762435Yes


Compounds with the same scaffold


Image of compound ID: 1357017
Murko Scaffold Family: 40 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12





Compound Lineages


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