General Information of the Compound
Compound ID
CP0052239
Compound Name
3-methyl-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
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Structure
Formula
C22H17F3N2O2
Molecular Weight
398.384
Canonical SMILES
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
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InChI
InChI=1S/C22H17F3N2O2/c1-14-5-2-6-15(11-14)20(28)26-18-9-4-10-19(13-18)27-21(29)16-7-3-8-17(12-16)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
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InChIKey
ISMGZXXGNKTCRO-UHFFFAOYSA-N
Physicochemical Property
logP
5.51842
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 49852192
ChEMBL ID
CHEMBL3183773
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 = 10 nM
   TI
   LI
   LO
   TS
2
IC50 = 370 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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3940 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5500 nM
   TI
   LI
   LO
   TS