General Information of the Compound
Compound ID
CP0881807
Compound Name
4-amino-1-benzyl-6,7-dimethyl-1H-imidazo[4,5-c]pyridin-2(3H)-one
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Structure
Formula
C15H16N4O
Molecular Weight
268.32
Canonical SMILES
Cc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2c1C
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InChI
InChI=1S/C15H16N4O/c1-9-10(2)17-14(16)12-13(9)19(15(20)18-12)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,16,17)(H,18,20)
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InChIKey
BIIHFNREWMOMIC-UHFFFAOYSA-N
Physicochemical Property
logP
1.97194
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
76.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 49771645
ChEMBL ID
CHEMBL3221819
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 = 266 nM
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