General Information of the Compound
Compound ID
CP0379441
Compound Name
N-[3-[(2-ethoxybenzoyl)amino]phenyl]-2-(trifluoromethyl)benzamide
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Structure
Formula
C23H19F3N2O3
Molecular Weight
428.41
Canonical SMILES
CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
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InChI
InChI=1S/C23H19F3N2O3/c1-2-31-20-13-6-4-11-18(20)22(30)28-16-9-7-8-15(14-16)27-21(29)17-10-3-5-12-19(17)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30)
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InChIKey
LMPGHYHPVDOEQI-UHFFFAOYSA-N
Physicochemical Property
logP
5.6087
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 51358807
ChEMBL ID
CHEMBL3182449
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 = 2 nM
   TI
   LI
   LO
   TS
2
IC50 = 10 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 = 250 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 300 nM
   TI
   LI
   LO
   TS