General Information of the Compound
Compound ID
CP0316854
Compound Name
N-(Pyridin-2-yl) arylsulfonamide, 28
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Structure
Formula
C20H18N4O2S
Molecular Weight
378.457
Canonical SMILES
CCNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
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InChI
InChI=1S/C20H18N4O2S/c1-2-22-19-4-3-5-20(23-19)24-27(25,26)18-12-10-17(11-13-18)16-8-6-15(14-21)7-9-16/h3-13H,2H2,1H3,(H2,22,23,24)
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InChIKey
HVYFTVFIEUKSKZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.85288
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
94.88
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 12002968
SID: 17502227
ChEMBL ID
CHEMBL489857
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)  1
1
EC50 = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4.8 nM