General Information of the Compound
Compound ID
CP0559367
Compound Name
2-methoxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine
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Structure
Formula
C17H23NO2
Molecular Weight
273.376
Canonical SMILES
COC(CNC(C)C)COc1cccc2ccccc12
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InChI
InChI=1S/C17H23NO2/c1-13(2)18-11-15(19-3)12-20-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,15,18H,11-12H2,1-3H3
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InChIKey
MQYLXXRHQMMERT-UHFFFAOYSA-N
Physicochemical Property
logP
3.2316
Rotatable Bonds
7
Heavy Atom Count
20
Polar Areas
30.49
Hydrogen Bond Donor Count
1
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: 10107358
SID: 15095783
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: PT05586, Nuclear receptor subfamily 2 group E member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 52000 nM
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