General Information of the Compound
Compound ID
CP0240957
Compound Name
arylsulfonylpiperazine, 38
    Show/Hide
Structure
Formula
C21H26F3N3O2S
Molecular Weight
441.519
Canonical SMILES
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCCN(CC1)c1ncccc1C(F)(F)F
    Show/Hide
InChI
InChI=1S/C21H26F3N3O2S/c1-20(2,3)16-7-9-17(10-8-16)30(28,29)27-13-5-12-26(14-15-27)19-18(21(22,23)24)6-4-11-25-19/h4,6-11H,5,12-15H2,1-3H3
    Show/Hide
InChIKey
ANTFYLRHYKKIKQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.2989
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 23648694
SID: 46520280
ChEMBL ID
CHEMBL430215
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 = 315 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3 nM