General Information of the Compound
Compound ID
CP0887530
Compound Name
7-amino-3-benzyl-5-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
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Structure
Formula
C14H14N4O
Molecular Weight
254.293
Canonical SMILES
Cc1cc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
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InChI
InChI=1S/C14H14N4O/c1-9-7-11(15)12-13(16-9)18(14(19)17-12)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,15,16)(H,17,19)
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InChIKey
RQGJJHXBRSQPSG-UHFFFAOYSA-N
Physicochemical Property
logP
1.66352
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
76.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 90668084
ChEMBL ID
CHEMBL3221820
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: PT02160, Toll-like receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  1
1
EC50 > 4000 nM
   TI
   LI
   LO
   TS