General Information of the Compound
Compound ID
CP0165547
Compound Name
2-(1,4'-bipiperidin-1'-yl)-6-chlorothiazolo[4,5-c]pyridine
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Structure
Formula
C16H21ClN4S
Molecular Weight
336.892
Canonical SMILES
Clc1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
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InChI
InChI=1S/C16H21ClN4S/c17-15-10-14-13(11-18-15)19-16(22-14)21-8-4-12(5-9-21)20-6-2-1-3-7-20/h10-12H,1-9H2
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InChIKey
QUGZEKVHJOWGND-UHFFFAOYSA-N
Physicochemical Property
logP
3.7994
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
32.26
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).

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PubChem ID
CID: 45482684
SID: 96027536
ChEMBL ID
CHEMBL575474
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 = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 10 nM