General Information of the Compound
Compound ID
CP0257424
Compound Name
1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxy-2-methylpyridin-4-one
    Show/Hide
Formula
C23H30N2O3
Molecular Weight
382.504
Canonical SMILES
COc1c(C)n(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
    Show/Hide
InChI
InChI=1S/C23H30N2O3/c1-17-23(27-2)22(26)13-16-25(17)19-7-9-20(10-8-19)28-21-11-14-24(15-12-21)18-5-3-4-6-18/h7-10,13,16,18,21H,3-6,11-12,14-15H2,1-2H3
    Show/Hide
InChIKey
PUWSNKHMQWHDGJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.94032
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
43.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
ChEMBL ID
CHEMBL4753961
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
IC50 = 1.39 nM
   TI
   LI
   LO
   TS