General Information of the Compound
Compound ID
CP0488998
Compound Name
3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1-(2-phenylethyl)imidazolidine-2,4-dione
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Formula
C20H18F4N2O2
Molecular Weight
394.368
Canonical SMILES
CC1(C)N(CCc2ccccc2)C(=O)N(C1=O)c1ccc(F)c(c1)C(F)(F)F
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InChI
InChI=1S/C20H18F4N2O2/c1-19(2)17(27)26(14-8-9-16(21)15(12-14)20(22,23)24)18(28)25(19)11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
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InChIKey
SYHLSYIHECLTJE-UHFFFAOYSA-N
Physicochemical Property
logP
4.6344
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
28

"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).

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ChEMBL ID
CHEMBL4786505
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 = 2400 nM
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