General Information of the Compound
Compound ID
CP0181648
Compound Name
2-(1,4'-bipiperidin-1'-yl)-6-(pyrimidin-5-yl)thiazolo[4,5-c]pyridine
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Structure
Formula
C20H24N6S
Molecular Weight
380.521
Canonical SMILES
C1CCN(CC1)C1CCN(CC1)c1nc2cnc(cc2s1)-c1cncnc1
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InChI
InChI=1S/C20H24N6S/c1-2-6-25(7-3-1)16-4-8-26(9-5-16)20-24-18-13-23-17(10-19(18)27-20)15-11-21-14-22-12-15/h10-14,16H,1-9H2
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InChIKey
UBBYLYDQJUESJK-UHFFFAOYSA-N
Physicochemical Property
logP
3.603
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
58.04
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
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).

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PubChem ID
CID: 45482757
SID: 96107368
ChEMBL ID
CHEMBL575234
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 = 25 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 25 nM