General Information of the Compound
Compound ID
CP0318431
Compound Name
arylsulfonylpiperazine, 17
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Structure
Formula
C22H20F3N3O2S
Molecular Weight
447.482
Canonical SMILES
FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C22H20F3N3O2S/c23-22(24,25)20-7-4-12-26-21(20)27-13-15-28(16-14-27)31(29,30)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-12H,13-16H2
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InChIKey
ONBIFHXEZPQLAZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.2783
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
53.51
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 44237022
ChEMBL ID
CHEMBL256081
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
IC50 = 603 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 74 nM