General Information of the Compound
Compound ID
CP0470075
Compound Name
5,5-dimethyl-3-[6-(trifluoromethyl)pyridin-3-yl]imidazolidine-2,4-dione
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Structure
Formula
C11H10F3N3O2
Molecular Weight
273.214
Canonical SMILES
CC1(C)NC(=O)N(C1=O)c1ccc(nc1)C(F)(F)F
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InChI
InChI=1S/C11H10F3N3O2/c1-10(2)8(18)17(9(19)16-10)6-3-4-7(15-5-6)11(12,13)14/h3-5H,1-2H3,(H,16,19)
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InChIKey
QWSFBCVNYCHVMH-UHFFFAOYSA-N
Physicochemical Property
logP
1.9352
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
62.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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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PubChem ID
CID: 67156126
ChEMBL ID
CHEMBL4743225
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 > 10000 nM
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   LI
   LO
   TS