General Information of the Compound
Compound ID
CP0388122
Compound Name
2-[4-(2-methylpyridin-4-yl)phenoxy]-N-(5-pyrazin-2-ylpyridin-2-yl)propanamide
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Structure
Formula
C24H21N5O2
Molecular Weight
411.465
Canonical SMILES
CC(Oc1ccc(cc1)-c1ccnc(C)c1)C(=O)Nc1ccc(cn1)-c1cnccn1
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InChI
InChI=1S/C24H21N5O2/c1-16-13-19(9-10-26-16)18-3-6-21(7-4-18)31-17(2)24(30)29-23-8-5-20(14-28-23)22-15-25-11-12-27-22/h3-15,17H,1-2H3,(H,28,29,30)
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InChIKey
ABECVUABIRGFJZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.31502
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
89.89
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 122192868
ChEMBL ID
CHEMBL3623895
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 = 0.11 nM
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