General Information of the Compound
Compound ID
CP0198133
Compound Name
N-phenyl-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
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Structure
Formula
C19H14N4O
Molecular Weight
314.348
Canonical SMILES
O=C(Nc1ccccc1)c1cn2cc(ccc2n1)-c1ccccn1
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InChI
InChI=1S/C19H14N4O/c24-19(21-15-6-2-1-3-7-15)17-13-23-12-14(9-10-18(23)22-17)16-8-4-5-11-20-16/h1-13H,(H,21,24)
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InChIKey
VMCCGRKQGHMWMG-UHFFFAOYSA-N
Physicochemical Property
logP
3.6486
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
59.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 68779277
ChEMBL ID
CHEMBL4472621
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 = 1 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 = 140 nM
   TI
   LI
   LO
   TS