General Information of the Compound
Compound ID
CP0064448
Compound Name
2-methoxy-N-(3-(3-methylbenzamido)phenyl)benzamide
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Structure
Formula
C22H20N2O3
Molecular Weight
360.413
Canonical SMILES
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
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InChI
InChI=1S/C22H20N2O3/c1-15-7-5-8-16(13-15)21(25)23-17-9-6-10-18(14-17)24-22(26)19-11-3-4-12-20(19)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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InChIKey
UTAJHKSGYJSZBR-UHFFFAOYSA-N
Physicochemical Property
logP
4.50822
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 46785920
ChEMBL ID
CHEMBL1081188
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A Homo sapiens (Human)  1
1
IC50 = 1350 nM
   TI
   LI
   LO
   TS
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 = 4 nM
   TI
   LI
   LO
   TS
2
IC50 = 16 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 = 390 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 990 nM
   TI
   LI
   LO
   TS