General Information of the Compound
Compound ID
CP0481340
Compound Name
4-[benzyl-(3-chloro-5-cyanopyridin-2-yl)sulfamoyl]benzoic acid
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Structure
Formula
C20H14ClN3O4S
Molecular Weight
427.869
Canonical SMILES
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ncc(cc1Cl)C#N
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InChI
InChI=1S/C20H14ClN3O4S/c21-18-10-15(11-22)12-23-19(18)24(13-14-4-2-1-3-5-14)29(27,28)17-8-6-16(7-9-17)20(25)26/h1-10,12H,13H2,(H,25,26)
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InChIKey
XXTHOHPFBLTZIQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.70038
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
111.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 118719633
ChEMBL ID
CHEMBL3353580
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 23782 nM
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