General Information of the Compound
Compound ID
CP0419182
Compound Name
N-[3-[(3-methylbenzoyl)amino]phenyl]-2-propan-2-yloxybenzamide
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Structure
Formula
C24H24N2O3
Molecular Weight
388.467
Canonical SMILES
CC(C)Oc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
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InChI
InChI=1S/C24H24N2O3/c1-16(2)29-22-13-5-4-12-21(22)24(28)26-20-11-7-10-19(15-20)25-23(27)18-9-6-8-17(3)14-18/h4-16H,1-3H3,(H,25,27)(H,26,28)
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InChIKey
YLARKTUNDQFJEL-UHFFFAOYSA-N
Physicochemical Property
logP
5.28682
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 118708434
ChEMBL ID
CHEMBL3317852
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 = 210 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 = 2700 nM
   TI
   LI
   LO
   TS