General Information of the Compound
Compound ID
CP0422861
Compound Name
4-((5,5-dimethyl-2,4-dioxo-3-(4-(trifluoromethylthio)phenyl)imidazolidin-1-yl)methyl)picolinamide
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Structure
Formula
C19H17F3N4O3S
Molecular Weight
438.431
Canonical SMILES
CC1(C)N(Cc2ccnc(c2)C(N)=O)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1
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InChI
InChI=1S/C19H17F3N4O3S/c1-18(2)16(28)26(12-3-5-13(6-4-12)30-19(20,21)22)17(29)25(18)10-11-7-8-24-14(9-11)15(23)27/h3-9H,10H2,1-2H3,(H2,23,27)
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InChIKey
JLIDRJHOEBMXLP-UHFFFAOYSA-N
Physicochemical Property
logP
3.5398
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
96.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 54582434
ChEMBL ID
CHEMBL1762164
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 = 2950 nM
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