General Information of the Compound
Compound ID
CP0379044
Compound Name
N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide
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Structure
Formula
C22H17F3N2O3
Molecular Weight
414.383
Canonical SMILES
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1
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InChI
InChI=1S/C22H17F3N2O3/c1-14-6-4-7-15(12-14)20(28)26-16-8-5-9-17(13-16)27-21(29)18-10-2-3-11-19(18)30-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
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InChIKey
PKFCOUBPBLEJMZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.39822
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 50919320
ChEMBL ID
CHEMBL3182725
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)  2
1
IC50 = 29 nM
   TI
   LI
   LO
   TS
2
IC50 = 60 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 = 750 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 990 nM
   TI
   LI
   LO
   TS