General Information of the Compound
Compound ID
CP0531160
Compound Name
1-((2-ethylpyridin-4-yl)methyl)-5,5-dimethyl-3-(4-(trifluoromethylthio)phenyl)imidazolidine-2,4-dione
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Structure
Formula
C20H20F3N3O2S
Molecular Weight
423.46
Canonical SMILES
CCc1cc(CN2C(=O)N(C(=O)C2(C)C)c2ccc(SC(F)(F)F)cc2)ccn1
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InChI
InChI=1S/C20H20F3N3O2S/c1-4-14-11-13(9-10-24-14)12-25-18(28)26(17(27)19(25,2)3)15-5-7-16(8-6-15)29-20(21,22)23/h5-11H,4,12H2,1-3H3
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InChIKey
QIZPEEXSTQKRRI-UHFFFAOYSA-N
Physicochemical Property
logP
5.0033
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
53.51
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 54582435
ChEMBL ID
CHEMBL1762174
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: PT01104, Insulin-like growth factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 574 nM
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