General Information of the Compound
Compound ID
CP0443262
Compound Name
N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide
    Show/Hide
Structure
Formula
C21H26N4O2
Molecular Weight
366.465
Canonical SMILES
CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)nc12)-c1ccc(OC)cc1
    Show/Hide
InChI
InChI=1S/C21H26N4O2/c1-6-24(7-2)18(26)13-25-20(16-8-10-17(27-5)11-9-16)23-19-14(3)12-15(4)22-21(19)25/h8-12H,6-7,13H2,1-5H3
    Show/Hide
InChIKey
SGOGIXZBMCSNBW-UHFFFAOYSA-N
Physicochemical Property
logP
3.59214
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
60.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 122196425
ChEMBL ID
CHEMBL3634878
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: PT01817, Translocator protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 29.11 nM
   TI
   LI
   LO
   TS
CL000552 T98G Homo sapiens (Human)  1
1
Ki = 144.33 nM
   TI
   LI
   LO
   TS