General Information of the Compound
Compound ID
CP0256567
Compound Name
arylsulfonylpiperazine, 15
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Structure
Formula
C16H15F3N4O4S
Molecular Weight
416.381
Canonical SMILES
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
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InChI
InChI=1S/C16H15F3N4O4S/c17-16(18,19)14-2-1-7-20-15(14)21-8-10-22(11-9-21)28(26,27)13-5-3-12(4-6-13)23(24)25/h1-7H,8-11H2
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InChIKey
CKTTYXLQVRUIJW-UHFFFAOYSA-N
Physicochemical Property
logP
2.5195
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
96.65
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 44237020
ChEMBL ID
CHEMBL256325
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 = 922 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 37 nM