General Information of the Compound
Compound ID
CP0535361
Compound Name
N-(2-cyanophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
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Structure
Formula
C20H13N5O
Molecular Weight
339.358
Canonical SMILES
O=C(Nc1ccccc1C#N)c1cn2cc(ccc2n1)-c1ccccn1
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InChI
InChI=1S/C20H13N5O/c21-11-14-5-1-2-7-17(14)24-20(26)18-13-25-12-15(8-9-19(25)23-18)16-6-3-4-10-22-16/h1-10,12-13H,(H,24,26)
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InChIKey
ZNEIYRJZZRQLAY-UHFFFAOYSA-N
Physicochemical Property
logP
3.52028
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
83.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 68777542
ChEMBL ID
CHEMBL4473547
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 = 292 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 > 1000 nM
   TI
   LI
   LO
   TS