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

1104083 - Overview - Compound Synopsis

Synonyms
1YS
Molecular Formula
C26H31F7N2O3S
InChI
InChI=1S/C26H31F7N2O3S/c1-24(2,3)17-6-4-5-14(8-17)11-35-19-13-39(37)12-16(22(19)36)7-15-9-18(27)21(34)20(10-15)38-23(25(28,29)30)26(31,32)33/h4-6,8-10,16,19,22-23,35-36H,7,11-13,34H2,1-3H3/t16-,19+,22+,39-/m1/s1
Smiles
CC(C)(C)c1cccc(CN[C@H]2C[S@+]([O-])C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
Cross References
UniChem34729394
canSAR1104083
PDBe (Protein Data Bank Europe)1YS
ChEMBLCHEMBL2425608
BindingDB50440425
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 584.1943613925.01774570No


Compounds with the same scaffold


Image of compound ID: 1104083
Murko Scaffold Family: 3 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12