General Information of the Compound
Compound ID
CP0352411
Compound Name
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine
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Structure
Formula
C19H16ClFN2O
Molecular Weight
342.801
Canonical SMILES
CC(Oc1cc(cnc1N)-c1ccccc1)c1cc(F)ccc1Cl
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InChI
InChI=1S/C19H16ClFN2O/c1-12(16-10-15(21)7-8-17(16)20)24-18-9-14(11-23-19(18)22)13-5-3-2-4-6-13/h2-12H,1H3,(H2,22,23)
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InChIKey
JEUYCARVAHECFG-UHFFFAOYSA-N
Physicochemical Property
logP
5.2633
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
48.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 146185154
ChEMBL ID
CHEMBL4516300
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: PT01214, Tyrosine-protein kinase JAK2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 461 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 461 nM