General Information of the Compound
Compound ID
CP0388121
Compound Name
2-[(1-methylindazol-5-yl)amino]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
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Structure
Formula
C19H17N7O
Molecular Weight
359.393
Canonical SMILES
Cn1ncc2cc(NCC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
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InChI
InChI=1S/C19H17N7O/c1-26-17-4-3-15(8-14(17)10-24-26)22-12-19(27)25-18-5-2-13(9-23-18)16-11-20-6-7-21-16/h2-11,22H,12H2,1H3,(H,23,25,27)
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InChIKey
QASUIEOQRDXKET-UHFFFAOYSA-N
Physicochemical Property
logP
2.4759
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
97.62
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 122192857
ChEMBL ID
CHEMBL3623884
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