General Information of the Compound
Compound ID
CP0521022
Compound Name
1-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxybenzene
    Show/Hide
Structure
Formula
C24H23FO3S
Molecular Weight
410.51
Canonical SMILES
Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(OCc2ccccc2)cc1
    Show/Hide
InChI
InChI=1S/C24H23FO3S/c25-21-10-14-23(15-11-21)29(26,27)24(16-4-5-17-24)20-8-12-22(13-9-20)28-18-19-6-2-1-3-7-19/h1-3,6-15H,4-5,16-18H2
    Show/Hide
InChIKey
IXMWLTXJOWOLAW-UHFFFAOYSA-N
Physicochemical Property
logP
5.6479
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
43.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 146026050
ChEMBL ID
CHEMBL4644629
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: PT02663, Nuclear receptor ROR-gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
EC50 = 214 nM
   TI
   LI
   LO
   TS