General Information of the Compound
Compound ID
CP0534154
Compound Name
2-(1,4'-bipiperidin-1'-yl)thiazolo[4,5-b]pyridin-6-amine
    Show/Hide
Structure
Formula
C16H23N5S
Molecular Weight
317.462
Canonical SMILES
Nc1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
    Show/Hide
InChI
InChI=1S/C16H23N5S/c17-12-10-14-15(18-11-12)19-16(22-14)21-8-4-13(5-9-21)20-6-2-1-3-7-20/h10-11,13H,1-9,17H2
    Show/Hide
InChIKey
IJBMICLXLZRLDJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.7282
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
58.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 45482726
SID: 96106565
ChEMBL ID
CHEMBL575883
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 = 79 nM
   TI
   LI
   LO
   TS