General Information of the Compound
Compound ID
CP0455337
Compound Name
2-(1,4'-bipiperidin-1'-yl)-6-(3-methoxyphenyl)thiazolo[4,5-c]pyridine
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Structure
Formula
C23H28N4OS
Molecular Weight
408.571
Canonical SMILES
COc1cccc(c1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
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InChI
InChI=1S/C23H28N4OS/c1-28-19-7-5-6-17(14-19)20-15-22-21(16-24-20)25-23(29-22)27-12-8-18(9-13-27)26-10-3-2-4-11-26/h5-7,14-16,18H,2-4,8-13H2,1H3
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InChIKey
GXZQHVCGKNJFPB-UHFFFAOYSA-N
Physicochemical Property
logP
4.8216
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
41.49
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 45482774
SID: 96106189
ChEMBL ID
CHEMBL574830
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 = 230 nM
   TI
   LI
   LO
   TS