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

750436 - Overview - Compound Synopsis

Synonyms
TM2
Molecular Formula
C12H20N3O12PS
InChI
InChI=1S/C12H20N3O12PS/c16-8-7(5-26-28(20,21)22)27-11(9(8)17)15-4-6(10(18)14-12(15)19)3-13-1-2-29(23,24)25/h4,7-9,11,13,16-17H,1-3,5H2,(H,14,18,19)(H2,20,21,22)(H,23,24,25)/t7-,8-,9-,11-/m1/s1
Smiles
O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)cc1CNCCS(=O)(=O)O
Cross References
UniChem654015
canSAR750436
PDBe (Protein Data Bank Europe)TM2
ChEMBLCHEMBL1236323
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 461.05053071-3.757571549Yes


Compounds with the same scaffold


Image of compound ID: 750436
Murko Scaffold Family: 5050 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12