General Information of the Compound
Compound ID
CP0447876
Compound Name
2-(6-cyanonaphthalen-2-yl)oxy-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
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Structure
Formula
C22H15N5O2
Molecular Weight
381.395
Canonical SMILES
O=C(COc1ccc2cc(ccc2c1)C#N)Nc1ccc(cn1)-c1cnccn1
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InChI
InChI=1S/C22H15N5O2/c23-11-15-1-2-17-10-19(5-3-16(17)9-15)29-14-22(28)27-21-6-4-18(12-26-21)20-13-24-7-8-25-20/h1-10,12-13H,14H2,(H,26,27,28)
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InChIKey
CTRGJOUCYCKPKF-UHFFFAOYSA-N
Physicochemical Property
logP
3.58098
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
100.79
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: 122192860
ChEMBL ID
CHEMBL3623887
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 = 2.7 nM
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