General Information of the Compound
Compound ID
CP0159922
Compound Name
arylsulfonylpiperazine, 22
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Structure
Formula
C16H14Cl2F3N3O2S
Molecular Weight
440.274
Canonical SMILES
FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C16H14Cl2F3N3O2S/c17-11-3-4-14(13(18)10-11)27(25,26)24-8-6-23(7-9-24)15-12(16(19,20)21)2-1-5-22-15/h1-5,10H,6-9H2
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InChIKey
BNPWQWJVBHTYKU-UHFFFAOYSA-N
Physicochemical Property
logP
3.9181
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
53.51
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 44237026
ChEMBL ID
CHEMBL401787
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 = 241 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7 nM