General Information of the Compound
Compound ID
CP0489984
Compound Name
4-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-7,7-dioxo-2-propan-2-yl-[1,3]thiazolo[5,4-b][1,4]thiazin-5-one
    Show/Hide
Structure
Formula
C16H14F4N2O4S2
Molecular Weight
438.424
Canonical SMILES
CC(C)c1nc2N(Cc3ccc(F)c(OC(F)(F)F)c3)C(=O)CS(=O)(=O)c2s1
    Show/Hide
InChI
InChI=1S/C16H14F4N2O4S2/c1-8(2)14-21-13-15(27-14)28(24,25)7-12(23)22(13)6-9-3-4-10(17)11(5-9)26-16(18,19)20/h3-5,8H,6-7H2,1-2H3
    Show/Hide
InChIKey
ZWDRWONPTSZBKW-UHFFFAOYSA-N
Physicochemical Property
logP
3.6247
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
76.57
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 72704621
ChEMBL ID
CHEMBL3287206
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00984, Intermediate conductance calcium-activated potassium channel protein 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 96 nM
   TI
   LI
   LO
   TS