General Information of the Compound
Compound ID
CP0414648
Compound Name
2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide
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Structure
Formula
C24H21F3N2O4
Molecular Weight
458.436
Canonical SMILES
CC(C)Oc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1
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InChI
InChI=1S/C24H21F3N2O4/c1-15(2)32-20-12-5-3-10-18(20)22(30)28-16-8-7-9-17(14-16)29-23(31)19-11-4-6-13-21(19)33-24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)
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InChIKey
OGUJLTSCHPIURC-UHFFFAOYSA-N
Physicochemical Property
logP
5.877
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
76.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
33

"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).

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PubChem ID
CID: 53301913
ChEMBL ID
CHEMBL3182699
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: PT06019, Potassium channel subfamily K member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1 nM
   TI
   LI
   LO
   TS
Protein ID: PT05440, Potassium channel subfamily K member 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 110 nM
   TI
   LI
   LO
   TS