General Information of the Compound
Compound ID
CP0547510
Compound Name
4-[4-(3,4-difluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
    Show/Hide
Structure
Formula
C14H14F2N2O2S
Molecular Weight
312.341
Canonical SMILES
COc1c(F)c(F)ccc1-c1csc(n1)N1CCOCC1
    Show/Hide
InChI
InChI=1S/C14H14F2N2O2S/c1-19-13-9(2-3-10(15)12(13)16)11-8-21-14(17-11)18-4-6-20-7-5-18/h2-3,8H,4-7H2,1H3
    Show/Hide
InChIKey
UZZZYERDPQSGCX-UHFFFAOYSA-N
Physicochemical Property
logP
2.9335
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
34.59
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 118310050
ChEMBL ID
CHEMBL3323484
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)  2
1
IC50 = 180 nM
   TI
   LI
   LO
   TS
2
IC50 = 250 nM
   TI
   LI
   LO
   TS