General Information of the Compound
Compound ID
CP0415501
Compound Name
2,5-dimethoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide
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Structure
Formula
C23H22N2O4
Molecular Weight
390.439
Canonical SMILES
COc1ccc(OC)c(c1)C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
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InChI
InChI=1S/C23H22N2O4/c1-15-6-4-7-16(12-15)22(26)24-17-8-5-9-18(13-17)25-23(27)20-14-19(28-2)10-11-21(20)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27)
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InChIKey
YWXSEZVUTCEGSS-UHFFFAOYSA-N
Physicochemical Property
logP
4.51682
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
76.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 118708433
ChEMBL ID
CHEMBL3317851
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 = 150 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 = 2300 nM
   TI
   LI
   LO
   TS