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

596802 - Overview - Compound Synopsis

Synonyms
G5A
Molecular Formula
C12H17N7O7S
InChI
InChI=1S/C12H17N7O7S/c13-1-6(20)18-27(23,24)25-2-5-8(21)9(22)12(26-5)19-4-17-7-10(14)15-3-16-11(7)19/h3-5,8-9,12,21-22H,1-2,13H2,(H,18,20)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1
Smiles
NCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
Cross References
UniChem77888
canSAR596802
PDBe (Protein Data Bank Europe)G5A
ChEMBLCHEMBL1163073
BindingDB18138
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 403.091016884-3.63671444No


Compounds with the same scaffold


Image of compound ID: 596802
Murko Scaffold Family: 16972 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12