General Information of the Compound
Compound ID
CP0561753
Compound Name
2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide
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Structure
Formula
C20H15F3N2O2
Molecular Weight
372.346
Canonical SMILES
FC(F)(F)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
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InChI
InChI=1S/C20H15F3N2O2/c21-20(22,23)15-8-9-18(27-13-14-5-2-1-3-6-14)17(11-15)19(26)25-16-7-4-10-24-12-16/h1-12H,13H2,(H,25,26)
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InChIKey
QDCGZGGBXYOTTN-UHFFFAOYSA-N
Physicochemical Property
logP
4.9317
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 155530738
ChEMBL ID
CHEMBL4465007
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 = 12.59 nM
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