General Information of the Compound
Compound ID
CP0411722
Compound Name
3-[benzyl-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]benzoic acid
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Structure
Formula
C20H14ClF3N2O4S
Molecular Weight
470.856
Canonical SMILES
OC(=O)c1cccc(c1)S(=O)(=O)N(Cc1ccccc1)c1ncc(cc1Cl)C(F)(F)F
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InChI
InChI=1S/C20H14ClF3N2O4S/c21-17-10-15(20(22,23)24)11-25-18(17)26(12-13-5-2-1-3-6-13)31(29,30)16-8-4-7-14(9-16)19(27)28/h1-11H,12H2,(H,27,28)
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InChIKey
IEUHRUWHWSEANZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.8475
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
87.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 66600758
ChEMBL ID
CHEMBL3353571
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 = 406 nM
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