General Information of the Compound
Compound ID
CP0316853
Compound Name
N-(Pyridin-2-yl) arylsulfonamide, 27
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Structure
Formula
C19H16N4O2S
Molecular Weight
364.43
Canonical SMILES
CNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
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InChI
InChI=1S/C19H16N4O2S/c1-21-18-3-2-4-19(22-18)23-26(24,25)17-11-9-16(10-12-17)15-7-5-14(13-20)6-8-15/h2-12H,1H3,(H2,21,22,23)
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InChIKey
NZQGAGXQETXNSM-UHFFFAOYSA-N
Physicochemical Property
logP
3.46278
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
94.88
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 44143315
ChEMBL ID
CHEMBL495842
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 = 184 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 9.8 nM