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

2030158 - Overview - Compound Synopsis

Synonyms
61T
Molecular Formula
C19H20F3N5O5S2
InChI
InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1
Smiles
NS(=O)(=O)OCC1CC(Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)C(O)C1O
Cross References
UniChem66117276
canSAR2030158
PDBe (Protein Data Bank Europe)61T
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 519.08579541.750551054No


Compounds with the same scaffold


Image of compound ID: 2030158
Murko Scaffold Family: 7479 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12