General Information of the Compound
Compound ID
CP0376957
Compound Name
N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]acetamide
    Show/Hide
Structure
Formula
C18H25N5OS
Molecular Weight
359.499
Canonical SMILES
CC(=O)Nc1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1
    Show/Hide
InChI
InChI=1S/C18H25N5OS/c1-13(24)20-17-11-16-15(12-19-17)21-18(25-16)23-9-5-14(6-10-23)22-7-3-2-4-8-22/h11-12,14H,2-10H2,1H3,(H,19,20,24)
    Show/Hide
InChIKey
VRILQOLTKCKVHJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.1044
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
61.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
25

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 45482692
SID: 96107289
ChEMBL ID
CHEMBL573491
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 = 53 nM
   TI
   LI
   LO
   TS