General Information of the Compound
Compound ID
CP0552486
Compound Name
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
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Structure
Formula
C19H13FN4O
Molecular Weight
332.338
Canonical SMILES
Fc1cccc(NC(=O)c2cn3cc(ccc3n2)-c2ccccn2)c1
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InChI
InChI=1S/C19H13FN4O/c20-14-4-3-5-15(10-14)22-19(25)17-12-24-11-13(7-8-18(24)23-17)16-6-1-2-9-21-16/h1-12H,(H,22,25)
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InChIKey
OFKJLNRTIQGBQJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.7877
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
59.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44137900
SID: 85093637
ChEMBL ID
CHEMBL4440924
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 > 1000 nM
   TI
   LI
   LO
   TS