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

748676 - Overview - Compound Synopsis

Synonyms
3-Deazathiamine DiphosphateTPW
Molecular Formula
C13H19N3O7P2S
InChI
InChI=1S/C13H19N3O7P2S/c1-8-11(5-10-6-15-9(2)16-13(10)14)7-26-12(8)3-4-22-25(20,21)23-24(17,18)19/h6-7H,3-5H2,1-2H3,(H,20,21)(H2,14,15,16)(H2,17,18,19)
Smiles
Cc1ncc(Cc2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
Cross References
UniChem642450
canSAR748676
PDBe (Protein Data Bank Europe)TPW
ChEMBLCHEMBL1236381
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 423.0418942082.0967451045Yes


Compounds with the same scaffold


Image of compound ID: 748676
Murko Scaffold Family: 13 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12