General Information of the Compound
Compound ID
CP0501971
Compound Name
N-[3-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
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Structure
Formula
C20H19N3O5S
Molecular Weight
413.455
Canonical SMILES
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1OC
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InChI
InChI=1S/C20H19N3O5S/c1-27-17-9-4-3-7-15(17)23-29(25,26)19-11-10-14(13-18(19)28-2)22-20(24)16-8-5-6-12-21-16/h3-13,23H,1-2H3,(H,22,24)
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InChIKey
WUPKQCAFDJBBKT-UHFFFAOYSA-N
Physicochemical Property
logP
3.1519
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
106.62
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 49865401
ChEMBL ID
CHEMBL1223316
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 = 132 nM
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