General Information of the Compound
Compound ID
CP0555120
Compound Name
N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-N-methyl-2-morpholin-4-ylacetamide
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Structure
Formula
C22H33N3O3
Molecular Weight
387.524
Canonical SMILES
CN(C(=O)CN1CCOCC1)c1ccc(OC2CCN(CC2)C2CCC2)cc1
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InChI
InChI=1S/C22H33N3O3/c1-23(22(26)17-24-13-15-27-16-14-24)18-5-7-20(8-6-18)28-21-9-11-25(12-10-21)19-3-2-4-19/h5-8,19,21H,2-4,9-17H2,1H3
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InChIKey
GDTLSLTVHVDWRA-UHFFFAOYSA-N
Physicochemical Property
logP
2.3773
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
45.25
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).

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PubChem ID
CID: 60197083
SID: 144214726
ChEMBL ID
CHEMBL4527873
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 = 4.89 nM
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