General Information of the Compound
Compound ID
CP0527838
Compound Name
2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenol
    Show/Hide
Structure
Formula
C13H12F2N2O2S
Molecular Weight
298.314
Canonical SMILES
Oc1c(F)c(F)ccc1-c1csc(n1)N1CCOCC1
    Show/Hide
InChI
InChI=1S/C13H12F2N2O2S/c14-9-2-1-8(12(18)11(9)15)10-7-20-13(16-10)17-3-5-19-6-4-17/h1-2,7,18H,3-6H2
    Show/Hide
InChIKey
MSJISRJFQIZJOG-UHFFFAOYSA-N
Physicochemical Property
logP
2.6305
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
45.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 118314647
ChEMBL ID
CHEMBL3323491
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 = 700 nM
   TI
   LI
   LO
   TS
2
IC50 = 800 nM
   TI
   LI
   LO
   TS