General Information of the Compound
Compound ID
CP0484292
Compound Name
2-[2-(4-fluorophenyl)ethoxy]-4-piperidin-1-ylpyridine
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Structure
Formula
C18H21FN2O
Molecular Weight
300.377
Canonical SMILES
Fc1ccc(CCOc2cc(ccn2)N2CCCCC2)cc1
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InChI
InChI=1S/C18H21FN2O/c19-16-6-4-15(5-7-16)9-13-22-18-14-17(8-10-20-18)21-11-2-1-3-12-21/h4-8,10,14H,1-3,9,11-13H2
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InChIKey
KCFKTINJMXLKPM-UHFFFAOYSA-N
Physicochemical Property
logP
3.8325
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
25.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 164673349
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: PT05231, Very long chain fatty acid elongase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 440 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 860 nM