General Information of the Compound
Compound ID
CP0504480
Compound Name
N-[4-(2-methoxyethylsulfamoyl)phenyl]pyridine-2-carboxamide
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Structure
Formula
C15H17N3O4S
Molecular Weight
335.385
Canonical SMILES
COCCNS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
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InChI
InChI=1S/C15H17N3O4S/c1-22-11-10-17-23(20,21)13-7-5-12(6-8-13)18-15(19)14-4-2-3-9-16-14/h2-9,17H,10-11H2,1H3,(H,18,19)
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InChIKey
UDJGBCGYRNFSMS-UHFFFAOYSA-N
Physicochemical Property
logP
1.2586
Rotatable Bonds
7
Heavy Atom Count
23
Polar Areas
97.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 49865293
ChEMBL ID
CHEMBL1223163
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 > 10000 nM
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