General Information of the Compound
Compound ID
CP0095052
Compound Name
5-(2-(1,4'-bipiperidin-1'-yl)thiazolo[4,5-b]pyridin-6-yl)pyridin-2-ol
    Show/Hide
Structure
Formula
C21H25N5OS
Molecular Weight
395.532
Canonical SMILES
O=c1ccc(c[nH]1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
    Show/Hide
InChI
InChI=1S/C21H25N5OS/c27-19-5-4-15(13-22-19)16-12-18-20(23-14-16)24-21(28-18)26-10-6-17(7-11-26)25-8-2-1-3-9-25/h4-5,12-14,17H,1-3,6-11H2,(H,22,27)
    Show/Hide
InChIKey
RZTWVPONWKATFR-UHFFFAOYSA-N
Physicochemical Property
logP
3.5013
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
65.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 45482688
ChEMBL ID
CHEMBL574393
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 = 42 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 42 nM