General Information of the Compound
Compound ID
CP0903859
Compound Name
N-(2-Methoxypyridin-3-yl)-2-(trifluoromethyl)benzenesulfonamide
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Structure
Formula
C13H11F3N2O3S
Molecular Weight
332.303
Canonical SMILES
COc1ncccc1NS(=O)(=O)c1ccccc1C(F)(F)F
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InChI
InChI=1S/C13H11F3N2O3S/c1-21-12-10(6-4-8-17-12)18-22(19,20)11-7-3-2-5-9(11)13(14,15)16/h2-8,18H,1H3
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InChIKey
DPXLXLKVLBMTCA-UHFFFAOYSA-N
Physicochemical Property
logP
2.9098
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 40175340
ChEMBL ID
CHEMBL3901925
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: PT03073, Solute carrier family 22 member 12
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3920 nM
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