General Information of the Compound
Compound ID
CP0508576
Compound Name
2-(1H-indazol-5-yloxy)-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
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Structure
Formula
C18H14N6O2
Molecular Weight
346.35
Canonical SMILES
O=C(COc1ccc2[nH]ncc2c1)Nc1ccc(cn1)-c1cnccn1
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InChI
InChI=1S/C18H14N6O2/c25-18(11-26-14-2-3-15-13(7-14)9-22-24-15)23-17-4-1-12(8-21-17)16-10-19-5-6-20-16/h1-10H,11H2,(H,22,24)(H,21,23,25)
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InChIKey
RCJLBNFSLNAABQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.4324
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
105.68
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 122192854
ChEMBL ID
CHEMBL3623881
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