General Information of the Compound
Compound ID
CP0476237
Compound Name
N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
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Structure
Formula
C22H33N3O4
Molecular Weight
403.523
Canonical SMILES
OCC1CN(CC(=O)Nc2ccc(OC3CCN(CC3)C3CCC3)cc2)CCO1
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InChI
InChI=1S/C22H33N3O4/c26-16-21-14-24(12-13-28-21)15-22(27)23-17-4-6-19(7-5-17)29-20-8-10-25(11-9-20)18-2-1-3-18/h4-7,18,20-21,26H,1-3,8-16H2,(H,23,27)
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InChIKey
LRMOIJOGJPKCSK-UHFFFAOYSA-N
Physicochemical Property
logP
1.7139
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
74.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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).

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PubChem ID
CID: 60197280
SID: 144214931
ChEMBL ID
CHEMBL4561912
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 = 4.05 nM
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