General Information of the Compound
Compound ID
CP0476399
Compound Name
N-(2,3-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
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Structure
Formula
C19H12F2N4O
Molecular Weight
350.328
Canonical SMILES
Fc1cccc(NC(=O)c2cn3cc(ccc3n2)-c2ccccn2)c1F
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InChI
InChI=1S/C19H12F2N4O/c20-13-4-3-6-15(18(13)21)24-19(26)16-11-25-10-12(7-8-17(25)23-16)14-5-1-2-9-22-14/h1-11H,(H,24,26)
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InChIKey
WHAXCOVHQIMPCN-UHFFFAOYSA-N
Physicochemical Property
logP
3.9268
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
59.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44137902
SID: 85093639
ChEMBL ID
CHEMBL4475835
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 = 1.2 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