General Information of the Compound
Compound ID
CP0349472
Compound Name
arylsulfonylpiperazine, 32
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Structure
Formula
C20H25N3O4S
Molecular Weight
403.504
Canonical SMILES
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1[N+]([O-])=O
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InChI
InChI=1S/C20H25N3O4S/c1-20(2,3)16-8-10-17(11-9-16)28(26,27)22-14-12-21(13-15-22)18-6-4-5-7-19(18)23(24)25/h4-11H,12-15H2,1-3H3
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InChIKey
GIYGDACJXMLIID-UHFFFAOYSA-N
Physicochemical Property
logP
3.4032
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
83.76
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 9107173
ChEMBL ID
CHEMBL256968
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 = 839 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 37 nM