General Information of the Compound
Compound ID
CP0208823
Compound Name
N-(Pyridin-2-yl) arylsulfonamide, 22
    Show/Hide
Structure
Formula
C19H15N3O2S
Molecular Weight
349.415
Canonical SMILES
Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
    Show/Hide
InChI
InChI=1S/C19H15N3O2S/c1-14-3-2-4-19(21-14)22-25(23,24)18-11-9-17(10-12-18)16-7-5-15(13-20)6-8-16/h2-12H,1H3,(H,21,22)
    Show/Hide
InChIKey
OWYWZVRZIUBCOM-UHFFFAOYSA-N
Physicochemical Property
logP
3.7295
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
82.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44143311
ChEMBL ID
CHEMBL526098
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 40 nM
   TI
   LI
   LO
   TS
2
EC50 = 53 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4 nM