General Information of the Compound
Compound ID
CP0552088
Compound Name
5,5-dimethyl-3-pyridin-4-ylimidazolidine-2,4-dione
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Formula
C10H11N3O2
Molecular Weight
205.217
Canonical SMILES
CC1(C)NC(=O)N(C1=O)c1ccncc1
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InChI
InChI=1S/C10H11N3O2/c1-10(2)8(14)13(9(15)12-10)7-3-5-11-6-4-7/h3-6H,1-2H3,(H,12,15)
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InChIKey
UAPCCJBPEFAZMF-UHFFFAOYSA-N
Physicochemical Property
logP
0.9164
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
62.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
15

"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
CHEMBL4782426
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 = 3800 nM
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