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

753165 - Overview - Compound Synopsis

Synonyms
D2X
Molecular Formula
C12H18N3O8P2S+
InChI
InChI=1S/C12H17N3O8P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-15(8)6-10-5-13-9(2)14-12(10)16/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,16,17,18,19,20,21)/p+1
Smiles
Cc1ncc(C[n+]2csc(CCO[P@@](=O)(O)OP(=O)(O)O)c2C)c(O)n1
Cross References
UniChem652067
canSAR753165
PDBe (Protein Data Bank Europe)D2X
ChEMBLCHEMBL1232068
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 426.028435216090.9651441144Yes


Compounds with the same scaffold


Image of compound ID: 753165
Murko Scaffold Family: 45 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12