General Information of the Compound
Compound ID
CP0310819
Compound Name
2-(1,4'-bipiperidin-1'-yl)-6-(2-methoxypyridin-4-yl)thiazolo[4,5-b]pyridine
    Show/Hide
Structure
Formula
C22H27N5OS
Molecular Weight
409.559
Canonical SMILES
COc1cc(ccn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
    Show/Hide
InChI
InChI=1S/C22H27N5OS/c1-28-20-14-16(5-8-23-20)17-13-19-21(24-15-17)25-22(29-19)27-11-6-18(7-12-27)26-9-3-2-4-10-26/h5,8,13-15,18H,2-4,6-7,9-12H2,1H3
    Show/Hide
InChIKey
CQCYZYXYLGEQJN-UHFFFAOYSA-N
Physicochemical Property
logP
4.2166
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
54.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 45482679
ChEMBL ID
CHEMBL573034
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4 nM