General Information of the Compound
Compound ID
CP0508347
Compound Name
N-[3-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylacetamide
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Structure
Formula
C21H31N3O3
Molecular Weight
373.497
Canonical SMILES
O=C(CN1CCOCC1)Nc1cccc(OC2CCN(CC2)C2CCC2)c1
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InChI
InChI=1S/C21H31N3O3/c25-21(16-23-11-13-26-14-12-23)22-17-3-1-6-20(15-17)27-19-7-9-24(10-8-19)18-4-2-5-18/h1,3,6,15,18-19H,2,4-5,7-14,16H2,(H,22,25)
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InChIKey
MAMYYKFGDRAMFJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.353
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
54.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 155515879
ChEMBL ID
CHEMBL4442372
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 = 212.1 nM
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