General Information of the Compound
Compound ID
CP0539026
Compound Name
N-(3-benzamidophenyl)-3-(trifluoromethyl)benzamide
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Structure
Formula
C21H15F3N2O2
Molecular Weight
384.357
Canonical SMILES
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
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InChI
InChI=1S/C21H15F3N2O2/c22-21(23,24)16-9-4-8-15(12-16)20(28)26-18-11-5-10-17(13-18)25-19(27)14-6-2-1-3-7-14/h1-13H,(H,25,27)(H,26,28)
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InChIKey
UZTAIVYOAUVHIK-UHFFFAOYSA-N
Physicochemical Property
logP
5.21
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 49842926
ChEMBL ID
CHEMBL3186946
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 = 160 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 > 30000 nM
   TI
   LI
   LO
   TS