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

753005 - Overview - Compound Synopsis

Synonyms
TDPTHIAMIN DIPHOSPHATE
Thiamin Diphosphate
Molecular Formula
C12H18N4O7P2S
InChI
InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)
Smiles
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)([O-])O)c2C)c(N)n1
Cross References
UniChem645958
canSAR753005
PDBe (Protein Data Bank Europe)TDP
ChEMBLCHEMBL1236235
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 424.0371431760.2097441144No


Compounds with the same scaffold


Image of compound ID: 753005
Murko Scaffold Family: 39 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12