General Information of the Compound
Compound ID
CP0573977
Compound Name
2-(2,4-dimethoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine
    Show/Hide
Structure
Formula
C17H19N3O2
Molecular Weight
297.358
Canonical SMILES
COc1ccc(-c2cn3ccc(cc3n2)N(C)C)c(OC)c1
    Show/Hide
InChI
InChI=1S/C17H19N3O2/c1-19(2)12-7-8-20-11-15(18-17(20)9-12)14-6-5-13(21-3)10-16(14)22-4/h5-11H,1-4H3
    Show/Hide
InChIKey
FUTGUOGUAWKQNY-UHFFFAOYSA-N
Physicochemical Property
logP
3.0845
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
39
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 168275531
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
CL000686 HEK-Blue hTLR7 Homo sapiens (Human)  1
1
IC50 = 3780 nM
   TI
   LI
   LO
   TS
Protein ID: PT01922, Toll-like receptor 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000685 HEK-Blue hTLR9 Homo sapiens (Human)  1
1
IC50 = 766 nM
   TI
   LI
   LO
   TS