General Information of the Compound
Compound ID
CP0565134
Compound Name
1-ethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
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Formula
C14H14F4N2O2
Molecular Weight
318.27
Canonical SMILES
CCN1C(=O)N(C(=O)C1(C)C)c1ccc(F)c(c1)C(F)(F)F
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InChI
InChI=1S/C14H14F4N2O2/c1-4-19-12(22)20(11(21)13(19,2)3)8-5-6-10(15)9(7-8)14(16,17)18/h5-7H,4H2,1-3H3
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InChIKey
WMPVPVZXKSLXMJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.4116
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
22

"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
CHEMBL4799175
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 = 140 nM
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