General Information of the Compound
Compound ID
CP0565072
Compound Name
2-(2'-fluoro-3-methyl-2,4'-bipyridin-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide
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Structure
Formula
C22H17FN6O
Molecular Weight
400.417
Canonical SMILES
Cc1cc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cnc1-c1ccnc(F)c1
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InChI
InChI=1S/C22H17FN6O/c1-14-8-15(11-28-22(14)16-4-5-26-19(23)10-16)9-21(30)29-20-3-2-17(12-27-20)18-13-24-6-7-25-18/h2-8,10-13H,9H2,1H3,(H,27,29,30)
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InChIKey
DICRWYNNWVSVOE-UHFFFAOYSA-N
Physicochemical Property
logP
3.62432
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
93.55
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 46927364
SID: 99433127
ChEMBL ID
CHEMBL4566038
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: PT04787, Protein-serine O-palmitoleoyltransferase porcupine
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000633 TM3 Mus musculus (Mouse)  1
1
IC50 = 0.2 nM
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