General Information of the Compound
Compound ID
CP0423627
Compound Name
6-pyridin-2-yl-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
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Structure
Formula
C16H11N5OS
Molecular Weight
321.365
Canonical SMILES
O=C(Nc1nccs1)c1cn2cc(ccc2n1)-c1ccccn1
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InChI
InChI=1S/C16H11N5OS/c22-15(20-16-18-7-8-23-16)13-10-21-9-11(4-5-14(21)19-13)12-3-1-2-6-17-12/h1-10H,(H,18,20,22)
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InChIKey
VWNYHGYRBXNYIS-UHFFFAOYSA-N
Physicochemical Property
logP
3.1051
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
72.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 141243820
ChEMBL ID
CHEMBL4435806
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 = 0.8 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