General Information of the Compound
Compound ID
CP0118608
Compound Name
arylsulfonylpiperazine, 19
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Structure
Formula
C20H18F3N3O2S
Molecular Weight
421.444
Canonical SMILES
FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1cccc2ccccc12
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InChI
InChI=1S/C20H18F3N3O2S/c21-20(22,23)17-8-4-10-24-19(17)25-11-13-26(14-12-25)29(27,28)18-9-3-6-15-5-1-2-7-16(15)18/h1-10H,11-14H2
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InChIKey
ZVOUEDZXAGJSST-UHFFFAOYSA-N
Physicochemical Property
logP
3.7645
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
53.51
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 44237023
ChEMBL ID
CHEMBL257773
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
IC50 = 13 nM
   TI
   LI
   LO
   TS
2
IC50 = 329 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13 nM