General Information of the Compound
Compound ID
CP0497269
Compound Name
N-[2-(4-methoxyphenoxy)ethyl]acetamide
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Structure
Formula
C11H15NO3
Molecular Weight
209.245
Canonical SMILES
COc1ccc(OCCNC(C)=O)cc1
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InChI
InChI=1S/C11H15NO3/c1-9(13)12-7-8-15-11-5-3-10(14-2)4-6-11/h3-6H,7-8H2,1-2H3,(H,12,13)
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InChIKey
DOFVTIKHBGVXSL-UHFFFAOYSA-N
Physicochemical Property
logP
1.2101
Rotatable Bonds
5
Heavy Atom Count
15
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
15

"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: 3964826
ChEMBL ID
CHEMBL1223054
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: PT01843, Melatonin receptor type 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 61659.5 nM
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Protein ID: PT02174, Melatonin receptor type 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 45708.82 nM
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   LI
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   TS