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

169133 - Overview - Compound Synopsis

Synonyms
B19
Molecular Formula
C12H22N2O7S
InChI
InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
Smiles
CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Cross References
UniChem407658
canSAR169133
PDBe (Protein Data Bank Europe)B19
ChEMBLCHEMBL283695
BindingDB13055
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 338.114772044-0.82243944Yes


Compounds with the same scaffold


Image of compound ID: 169133
Murko Scaffold Family: 187 compoundsClick here to open a new canSAR search with these compounds

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