General Information of the Compound
Compound ID
CP0578987
Compound Name
N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-N-ethyl-2-morpholin-4-ylacetamide
    Show/Hide
Structure
Formula
C23H35N3O3
Molecular Weight
401.551
Canonical SMILES
CCN(C(=O)CN1CCOCC1)c1ccc(OC2CCN(CC2)C2CCC2)cc1
    Show/Hide
InChI
InChI=1S/C23H35N3O3/c1-2-26(23(27)18-24-14-16-28-17-15-24)20-6-8-21(9-7-20)29-22-10-12-25(13-11-22)19-4-3-5-19/h6-9,19,22H,2-5,10-18H2,1H3
    Show/Hide
InChIKey
JRAULUZYXCYHLC-UHFFFAOYSA-N
Physicochemical Property
logP
2.7674
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
45.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 155514975
ChEMBL ID
CHEMBL4441571
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 10.8 nM
   TI
   LI
   LO
   TS