General Information of the Compound
Compound ID
CP0447877
Compound Name
2-(6-methoxynaphthalen-2-yl)oxy-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
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Structure
Formula
C22H18N4O3
Molecular Weight
386.411
Canonical SMILES
COc1ccc2cc(OCC(=O)Nc3ccc(cn3)-c3cnccn3)ccc2c1
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InChI
InChI=1S/C22H18N4O3/c1-28-18-5-2-16-11-19(6-3-15(16)10-18)29-14-22(27)26-21-7-4-17(12-25-21)20-13-23-8-9-24-20/h2-13H,14H2,1H3,(H,25,26,27)
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InChIKey
FWYRXNPAZSPBAM-UHFFFAOYSA-N
Physicochemical Property
logP
3.7179
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
86.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 122192859
ChEMBL ID
CHEMBL3623886
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: PT04895, Protein-serine O-palmitoleoyltransferase porcupine
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000575 L Wnt-3A Mus musculus (Mouse)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS