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

1000045 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C18H18ClF3N4O3S2
InChI
InChI=1S/C18H18ClF3N4O3S2/c1-8-7-26(17(28)25-15(8)30)14-5-12(27)13(29-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,30)/t12-,13+,14-/m0/s1
Smiles
Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)O2)c(=O)[nH]c1=S
Cross References
UniChem27233508
canSAR1000045
ChEMBLCHEMBL1928435
BindingDB50359625
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 494.0460947763.521514749No


Compounds with the same scaffold


Image of compound ID: 1000045
Murko Scaffold Family: 4926 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12