General Information of the Compound
Compound ID
CP0205690
Compound Name
arylsulfonylpiperazine, 16
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Structure
Formula
C17H15F3N4O2S
Molecular Weight
396.394
Canonical SMILES
FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N
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InChI
InChI=1S/C17H15F3N4O2S/c18-17(19,20)15-2-1-7-22-16(15)23-8-10-24(11-9-23)27(25,26)14-5-3-13(12-21)4-6-14/h1-7H,8-11H2
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InChIKey
OULXRFUMARETNV-UHFFFAOYSA-N
Physicochemical Property
logP
2.48298
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
77.3
Hydrogen Bond Donor Count
0
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: 44237021
ChEMBL ID
CHEMBL404906
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 = 978 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 50 nM