General Information of the Compound
Compound ID
CP0537973
Compound Name
(6-(1-isopropylpiperidin-4-yloxy)naphthalen-2-yl)(4-methoxypiperidin-1-yl)methanone
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Structure
Formula
C25H34N2O3
Molecular Weight
410.558
Canonical SMILES
COC1CCN(CC1)C(=O)c1ccc2cc(OC3CCN(CC3)C(C)C)ccc2c1
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InChI
InChI=1S/C25H34N2O3/c1-18(2)26-12-10-23(11-13-26)30-24-7-6-19-16-21(5-4-20(19)17-24)25(28)27-14-8-22(29-3)9-15-27/h4-7,16-18,22-23H,8-15H2,1-3H3
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InChIKey
ZOGJGKBMLNMOAM-UHFFFAOYSA-N
Physicochemical Property
logP
4.3424
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
42.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 45269440
ChEMBL ID
CHEMBL560203
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 62 nM
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