General Information of the Compound
Compound ID
CP0232079
Compound Name
N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-yl]acetamide
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Structure
Formula
C23H28N6OS
Molecular Weight
436.585
Canonical SMILES
CC(=O)Nc1ccc(cn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
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InChI
InChI=1S/C23H28N6OS/c1-16(30)26-22-6-5-17(14-25-22)19-13-21-20(15-24-19)27-23(31-21)29-11-7-18(8-12-29)28-9-3-2-4-10-28/h5-6,13-15,18H,2-4,7-12H2,1H3,(H,25,26,30)
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InChIKey
CJMZBKHNNKVAOE-UHFFFAOYSA-N
Physicochemical Property
logP
4.1664
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
74.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
31

"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: 45482753
SID: 96107019
ChEMBL ID
CHEMBL575693
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 = 27 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 27 nM