General Information of the Compound
Compound ID
CP0153831
Compound Name
1-((2-fluoropyridin-4-yl)methyl)-5,5-dimethyl-3-(4-(trifluoromethylthio)phenyl)imidazolidine-2,4-dione
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Structure
Formula
C18H15F4N3O2S
Molecular Weight
413.396
Canonical SMILES
CC1(C)N(Cc2ccnc(F)c2)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1
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InChI
InChI=1S/C18H15F4N3O2S/c1-17(2)15(26)25(12-3-5-13(6-4-12)28-18(20,21)22)16(27)24(17)10-11-7-8-23-14(19)9-11/h3-9H,10H2,1-2H3
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InChIKey
KTVQYUJWNKKLCQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.58
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
53.51
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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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PubChem ID
CID: 54587318
ChEMBL ID
CHEMBL1762165
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 = 2897 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 9285 nM