General Information of the Compound
Compound ID
CP0289422
Compound Name
arylsulfonylpiperazine, 10
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Structure
Formula
C20H24F3N3O2S
Molecular Weight
427.492
Canonical SMILES
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
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InChI
InChI=1S/C20H24F3N3O2S/c1-19(2,3)15-6-8-16(9-7-15)29(27,28)26-13-11-25(12-14-26)18-17(20(21,22)23)5-4-10-24-18/h4-10H,11-14H2,1-3H3
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InChIKey
FLXPQNBNWSTLJR-UHFFFAOYSA-N
Physicochemical Property
logP
3.9088
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: 23648664
SID: 46520251
ChEMBL ID
CHEMBL256760
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 = 201 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4 nM