General Information of the Compound
Compound ID
CP0219496
Compound Name
5-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]furan-3-carboxylic acid
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Structure
Formula
C18H13N3O4
Molecular Weight
335.319
Canonical SMILES
COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cc(co1)C(O)=O
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InChI
InChI=1S/C18H13N3O4/c1-24-13-4-2-10(3-5-13)16-20-14-6-11(8-19-17(14)21-16)15-7-12(9-25-15)18(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)
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InChIKey
JDJAIINKPORJAW-UHFFFAOYSA-N
Physicochemical Property
logP
3.5917
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
101.24
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 76321828
ChEMBL ID
CHEMBL3125740
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: PT01682, Serine/threonine-protein kinase TBK1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1050 nM