General Information of the Compound
Compound ID
CP0915771
Compound Name
(S)-1-((1H-imidazol-4-yl)methyl)-5-methyl-3-(4-(trifluoromethylsulfonyl)phenyl)imidazolidine-2,4-dione
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Structure
Formula
C15H13F3N4O4S
Molecular Weight
402.354
Canonical SMILES
C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1c[nH]cn1
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InChI
InChI=1S/C15H13F3N4O4S/c1-9-13(23)22(14(24)21(9)7-10-6-19-8-20-10)11-2-4-12(5-3-11)27(25,26)15(16,17)18/h2-6,8-9H,7H2,1H3,(H,19,20)/t9-/m0/s1
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InChIKey
RDKYOUGQNMPIEV-VIFPVBQESA-N
Physicochemical Property
logP
2.0605
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
103.44
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 54586341
ChEMBL ID
CHEMBL1762341
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 > 100000 nM
   TI
   LI
   LO
   TS