General Information of the Compound
Compound ID
CP0575030
Compound Name
N-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-2-morpholin-4-ylacetamide
    Show/Hide
Structure
Formula
C21H30FN3O3
Molecular Weight
391.487
Canonical SMILES
Fc1cc(NC(=O)CN2CCOCC2)ccc1OC1CCN(CC1)C1CCC1
    Show/Hide
InChI
InChI=1S/C21H30FN3O3/c22-19-14-16(23-21(26)15-24-10-12-27-13-11-24)4-5-20(19)28-18-6-8-25(9-7-18)17-2-1-3-17/h4-5,14,17-18H,1-3,6-13,15H2,(H,23,26)
    Show/Hide
InChIKey
ZOWIRJGQDHKVHS-UHFFFAOYSA-N
Physicochemical Property
logP
2.4921
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
54.04
Hydrogen Bond Donor Count
1
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
PubChem ID
CID: 60196884
SID: 144214520
ChEMBL ID
CHEMBL4563100
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 = 62.04 nM
   TI
   LI
   LO
   TS