General Information of the Compound
Compound ID
CP0335801
Compound Name
arylsulfonylpiperazine, 43
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Structure
Formula
C21H26F3N3O2S
Molecular Weight
441.519
Canonical SMILES
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F
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InChI
InChI=1S/C21H26F3N3O2S/c1-15-14-26(19-18(21(22,23)24)6-5-11-25-19)12-13-27(15)30(28,29)17-9-7-16(8-10-17)20(2,3)4/h5-11,15H,12-14H2,1-4H3/t15-/m1/s1
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InChIKey
JKFPLTSHRKSYDP-OAHLLOKOSA-N
Physicochemical Property
logP
4.2973
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
53.51
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 44237035
ChEMBL ID
CHEMBL429499
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 = 762 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11 nM