General Information of the Compound
Compound ID
CP0540449
Compound Name
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)benzamide
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Structure
Formula
C21H14F5NO2
Molecular Weight
407.338
Canonical SMILES
Fc1ccc(COc2ccc(cc2C(=O)Nc2cccc(F)c2)C(F)(F)F)cc1
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InChI
InChI=1S/C21H14F5NO2/c22-15-7-4-13(5-8-15)12-29-19-9-6-14(21(24,25)26)10-18(19)20(28)27-17-3-1-2-16(23)11-17/h1-11H,12H2,(H,27,28)
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InChIKey
RFLIAAPXBJSUJB-UHFFFAOYSA-N
Physicochemical Property
logP
5.8149
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 155522966
ChEMBL ID
CHEMBL4452797
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: PT01378, Leucine-rich repeat serine/threonine-protein kinase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 31.62 nM
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