General Information of the Compound
Compound ID
CP0438629
Compound Name
4-(1-cyclobutylpiperidin-4-yl)oxy-N-(2-morpholin-4-ylethyl)benzamide
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Structure
Formula
C22H33N3O3
Molecular Weight
387.524
Canonical SMILES
O=C(NCCN1CCOCC1)c1ccc(OC2CCN(CC2)C2CCC2)cc1
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InChI
InChI=1S/C22H33N3O3/c26-22(23-10-13-24-14-16-27-17-15-24)18-4-6-20(7-5-18)28-21-8-11-25(12-9-21)19-2-1-3-19/h4-7,19,21H,1-3,8-17H2,(H,23,26)
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InChIKey
RIGYZBIHNQNPLQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.1443
Rotatable Bonds
7
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).

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PubChem ID
CID: 155522254
ChEMBL ID
CHEMBL4452215
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 = 2.8 nM
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