General Information of the Compound
Compound ID
CP0415504
Compound Name
3-methyl-N-[3-[[4-(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)c2ccc(cc2)C(F)(F)F)c1
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InChI
InChI=1S/C22H17F3N2O2/c1-14-4-2-5-16(12-14)21(29)27-19-7-3-6-18(13-19)26-20(28)15-8-10-17(11-9-15)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
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InChIKey
MZGFSZQYZLQRNF-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: 49852187
ChEMBL ID
CHEMBL3317853
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 > 3000 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