General Information of the Compound
Compound ID
CP0501968
Compound Name
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-6-fluoropyridine-2-carboxamide
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Structure
Formula
C18H13ClFN3O3S
Molecular Weight
405.838
Canonical SMILES
Fc1cccc(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1Cl
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InChI
InChI=1S/C18H13ClFN3O3S/c19-14-4-1-2-5-15(14)23-27(25,26)13-10-8-12(9-11-13)21-18(24)16-6-3-7-17(20)22-16/h1-11,23H,(H,21,24)
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InChIKey
GLUYPOGPLCBWGM-UHFFFAOYSA-N
Physicochemical Property
logP
3.9272
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
88.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 49865350
ChEMBL ID
CHEMBL1223241
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 = 122 nM
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