General Information of the Compound
Compound ID
CP0564595
Compound Name
2-[2-(4-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridine
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Structure
Formula
C18H15FN2O
Molecular Weight
294.329
Canonical SMILES
Fc1ccc(CCOc2ccc(cn2)-c2cccnc2)cc1
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InChI
InChI=1S/C18H15FN2O/c19-17-6-3-14(4-7-17)9-11-22-18-8-5-16(13-21-18)15-2-1-10-20-12-15/h1-8,10,12-13H,9,11H2
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InChIKey
ORFSLMVMPYSSHX-UHFFFAOYSA-N
Physicochemical Property
logP
3.9042
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
35.01
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: 163196433
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 = 6700 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 21000 nM