General Information of the Compound
Compound ID
CP0401265
Compound Name
4-(2-(1,4'-bipiperidin-1'-yl)thiazolo[4,5-b]pyridin-6-yl)phenol
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Structure
Formula
C22H26N4OS
Molecular Weight
394.544
Canonical SMILES
Oc1ccc(cc1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
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InChI
InChI=1S/C22H26N4OS/c27-19-6-4-16(5-7-19)17-14-20-21(23-15-17)24-22(28-20)26-12-8-18(9-13-26)25-10-2-1-3-11-25/h4-7,14-15,18,27H,1-3,8-13H2
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InChIKey
PSVXRLREKMJAQO-UHFFFAOYSA-N
Physicochemical Property
logP
4.5186
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
52.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 45482744
SID: 96106482
ChEMBL ID
CHEMBL584768
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 = 59 nM
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   LI
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