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

749026 - Overview - Compound Synopsis

Synonyms
281
Molecular Formula
C20H25N4O6PS2
InChI
InChI=1S/C20H25N4O6PS2/c1-12(2)19(24-33(29,30)17-8-4-7-16-18(17)23-32-22-16)31(27,28)11-15(20(25)26)14-6-3-5-13(9-14)10-21/h3-9,12,15,19,24H,10-11,21H2,1-2H3,(H,25,26)(H,27,28)/t15-,19+/m0/s1
Smiles
CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)[P@@](=O)(O)C[C@H](C(=O)O)c1cccc(CN)c1
Cross References
UniChem657072
canSAR749026
PDBe (Protein Data Bank Europe)281
ChEMBLCHEMBL1229858
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 512.095313152.549251058Yes


Compounds with the same scaffold


Image of compound ID: 749026
Murko Scaffold Family: 1 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12