General Information of the Compound
Compound ID
CP0499333
Compound Name
2-(2'-Methoxybiphenyl-2-yloxy)-N,N-dimethyl-ethanamine
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Structure
Formula
C17H21NO2
Molecular Weight
271.36
Canonical SMILES
COc1ccccc1-c1ccccc1OCCN(C)C
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InChI
InChI=1S/C17H21NO2/c1-18(2)12-13-20-17-11-7-5-9-15(17)14-8-4-6-10-16(14)19-3/h4-11H,12-13H2,1-3H3
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InChIKey
KMEPQGMZXYOHGH-UHFFFAOYSA-N
Physicochemical Property
logP
3.3026
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
21.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 46233382
ChEMBL ID
CHEMBL599819
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: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 669 nM
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