General Information of the Compound
Compound ID
CP0317461
Compound Name
3-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
    Show/Hide
Structure
Formula
C12H10ClF3N2O2
Molecular Weight
306.671
Canonical SMILES
CC1(C)NC(=O)N(C1=O)c1ccc(Cl)c(c1)C(F)(F)F
    Show/Hide
InChI
InChI=1S/C12H10ClF3N2O2/c1-11(2)9(19)18(10(20)17-11)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,1-2H3,(H,17,20)
    Show/Hide
InChIKey
MDHZTJZHWWJUND-UHFFFAOYSA-N
CAS
70842-05-6
Physicochemical Property
logP
3.1936
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 3054078
ChEMBL ID
CHEMBL4750103
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