General Information of the Compound
Compound ID
CP0557320
Compound Name
3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,5,5-trimethylimidazolidine-2,4-dione
    Show/Hide
Structure
Formula
C13H12F4N2O2
Molecular Weight
304.243
Canonical SMILES
CN1C(=O)N(C(=O)C1(C)C)c1ccc(F)c(c1)C(F)(F)F
    Show/Hide
InChI
InChI=1S/C13H12F4N2O2/c1-12(2)10(20)19(11(21)18(12)3)7-4-5-9(14)8(6-7)13(15,16)17/h4-6H,1-3H3
    Show/Hide
InChIKey
YGLYJJBFBZTIOK-UHFFFAOYSA-N
Physicochemical Property
logP
3.0215
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 138109316
ChEMBL ID
CHEMBL4778974
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
CL000521 LAPC-4 Homo sapiens (Human)  1
1
IC50 = 1300 nM
   TI
   LI
   LO
   TS