General Information of the Compound
Compound ID
CP0071697
Compound Name
N-(2,5-dimethoxyphenyl)quinoline-3-sulfonamide
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Structure
Formula
C17H16N2O4S
Molecular Weight
344.392
Canonical SMILES
COc1ccc(OC)c(NS(=O)(=O)c2cnc3ccccc3c2)c1
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InChI
InChI=1S/C17H16N2O4S/c1-22-13-7-8-17(23-2)16(10-13)19-24(20,21)14-9-12-5-3-4-6-15(12)18-11-14/h3-11,19H,1-2H3
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InChIKey
WVDCKURRTXWSOX-UHFFFAOYSA-N
Physicochemical Property
logP
3.0528
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
77.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 24178164
SID: 87225204
ChEMBL ID
CHEMBL572541
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 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 10000 nM