General Information of the Compound
Compound ID
CP0410901
Compound Name
2-ethoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide
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Structure
Formula
C23H22N2O3
Molecular Weight
374.44
Canonical SMILES
CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
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InChI
InChI=1S/C23H22N2O3/c1-3-28-21-13-5-4-12-20(21)23(27)25-19-11-7-10-18(15-19)24-22(26)17-9-6-8-16(2)14-17/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
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InChIKey
SBGANYDMSRERBE-UHFFFAOYSA-N
Physicochemical Property
logP
4.89832
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 50919319
ChEMBL ID
CHEMBL3187482
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 = 9 nM
   TI
   LI
   LO
   TS
2
IC50 = 11 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 = 38 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 410 nM
   TI
   LI
   LO
   TS