General Information of the Compound
Compound ID
CP0381380
Compound Name
4-[4-(3-fluoro-2-methylsulfonylphenyl)-1,3-thiazol-2-yl]morpholine
    Show/Hide
Structure
Formula
C14H15FN2O3S2
Molecular Weight
342.417
Canonical SMILES
CS(=O)(=O)c1c(F)cccc1-c1csc(n1)N1CCOCC1
    Show/Hide
InChI
InChI=1S/C14H15FN2O3S2/c1-22(18,19)13-10(3-2-4-11(13)15)12-9-21-14(16-12)17-5-7-20-8-6-17/h2-4,9H,5-8H2,1H3
    Show/Hide
InChIKey
YAJOUYKEMCWDJJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.1893
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
59.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 118310055
ChEMBL ID
CHEMBL3323501
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  1
1
IC50 = 3560 nM
   TI
   LI
   LO
   TS