General Information of the Compound
Compound ID
CP0381482
Compound Name
2-chloro-N-(4-(cyclohexanecarboxamido)-2-methoxyphenyl)benzamide
    Show/Hide
Structure
Formula
C21H23ClN2O3
Molecular Weight
386.879
Canonical SMILES
COc1cc(NC(=O)C2CCCCC2)ccc1NC(=O)c1ccccc1Cl
    Show/Hide
InChI
InChI=1S/C21H23ClN2O3/c1-27-19-13-15(23-20(25)14-7-3-2-4-8-14)11-12-18(19)24-21(26)16-9-5-6-10-17(16)22/h5-6,9-14H,2-4,7-8H2,1H3,(H,23,25)(H,24,26)
    Show/Hide
InChIKey
SRWWMRVOWRSOIO-UHFFFAOYSA-N
Physicochemical Property
logP
5.1197
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 51003236
SID: 117686462
ChEMBL ID
CHEMBL1672237
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1120 nM
   TI
   LI
   LO
   TS
Protein ID: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1520 nM
   TI
   LI
   LO
   TS