General Information of the Compound
Compound ID
CP0533239
Compound Name
N-(3-chlorophenyl)-2-phenylmethoxy-5-(trifluoromethyl)benzamide
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Structure
Formula
C21H15ClF3NO2
Molecular Weight
405.803
Canonical SMILES
FC(F)(F)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccc(Cl)c1
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InChI
InChI=1S/C21H15ClF3NO2/c22-16-7-4-8-17(12-16)26-20(27)18-11-15(21(23,24)25)9-10-19(18)28-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,26,27)
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InChIKey
RAEGTJCRJISCHY-UHFFFAOYSA-N
Physicochemical Property
logP
6.1901
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 155517776
ChEMBL ID
CHEMBL4445334
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 = 25.12 nM
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