General Information of the Compound
Compound ID
CP0108113
Compound Name
2-Methoxy-5-methyl-N-(pyridin-3-yl)benzenesulfonamide
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Structure
Formula
C13H14N2O3S
Molecular Weight
278.333
Canonical SMILES
COc1ccc(C)cc1S(=O)(=O)Nc1cccnc1
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InChI
InChI=1S/C13H14N2O3S/c1-10-5-6-12(18-2)13(8-10)19(16,17)15-11-4-3-7-14-9-11/h3-9,15H,1-2H3
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InChIKey
OLSQAIQMPKVMBE-UHFFFAOYSA-N
Physicochemical Property
logP
2.19942
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 645853
SID: 57301857
ChEMBL ID
CHEMBL572774
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: PT01329, Alkaline phosphatase, tissue-nonspecific isozyme
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 1850 nM
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