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

1413868 - Overview - Compound Synopsis

Synonyms
MONOPHOSPHOTHIAMINEMonophosphothiamine
PHOSPHOTHIAMINEPhosphothiamine
Molecular Formula
C12H18ClN4O4PS
InChI
InChI=1S/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H
Smiles
Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1.[Cl-]
Cross References
UniChem1104138
canSAR1413868
ChEMBLCHEMBL2106811
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 380.047490366-2.271264841Yes


Compounds with the same scaffold


Image of compound ID: 1413868
Murko Scaffold Family: 45 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12





Compound Lineages


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