General Information of the Compound
Compound ID
CP0486800
Compound Name
N-(2-naphthalen-1-ylethyl)-4-(trifluoromethoxy)benzamide
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Structure
Formula
C20H16F3NO2
Molecular Weight
359.347
Canonical SMILES
FC(F)(F)Oc1ccc(cc1)C(=O)NCCc1cccc2ccccc12
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InChI
InChI=1S/C20H16F3NO2/c21-20(22,23)26-17-10-8-16(9-11-17)19(25)24-13-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H,24,25)
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InChIKey
RERDWMTVVMNHIC-UHFFFAOYSA-N
Physicochemical Property
logP
4.7109
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 44447673
ChEMBL ID
CHEMBL252990
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2600 nM
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