General Information of the Compound
Compound ID
CP0500087
Compound Name
N-[4-(cyclohexylsulfamoyl)phenyl]pyridine-2-carboxamide
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Structure
Formula
C18H21N3O3S
Molecular Weight
359.451
Canonical SMILES
O=C(Nc1ccc(cc1)S(=O)(=O)NC1CCCCC1)c1ccccn1
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InChI
InChI=1S/C18H21N3O3S/c22-18(17-8-4-5-13-19-17)20-14-9-11-16(12-10-14)25(23,24)21-15-6-2-1-3-7-15/h4-5,8-13,15,21H,1-3,6-7H2,(H,20,22)
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InChIKey
LBSLBOYNNAQSDJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9449
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
88.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 45111051
SID: 92299958
ChEMBL ID
CHEMBL1223159
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 = 1030 nM
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