General Information of the Compound
Compound ID
CP0476398
Compound Name
N-(6-fluoropyridin-2-yl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
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Structure
Formula
C18H12FN5O
Molecular Weight
333.326
Canonical SMILES
Fc1cccc(NC(=O)c2cn3cc(ccc3n2)-c2ccccn2)n1
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InChI
InChI=1S/C18H12FN5O/c19-15-5-3-6-16(22-15)23-18(25)14-11-24-10-12(7-8-17(24)21-14)13-4-1-2-9-20-13/h1-11H,(H,22,23,25)
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InChIKey
CHYWJGJBXBECDR-UHFFFAOYSA-N
Physicochemical Property
logP
3.1827
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
72.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 67140847
ChEMBL ID
CHEMBL4579076
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: PT06794, Nuclear receptor subfamily 4 group A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000020 Neuro-2a Mus musculus (Mouse)  1
1
EC50 = 0.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT05155, Nuclear receptor subfamily 4 group A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 25 nM
   TI
   LI
   LO
   TS