General Information of the Compound
Compound ID
CP0376906
Compound Name
2-[1-(2-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole
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Structure
Formula
C13H18N2O2
Molecular Weight
234.299
Canonical SMILES
CCOc1ccccc1OC(C)C1=NCCN1
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InChI
InChI=1S/C13H18N2O2/c1-3-16-11-6-4-5-7-12(11)17-10(2)13-14-8-9-15-13/h4-7,10H,3,8-9H2,1-2H3,(H,14,15)
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InChIKey
DYQQPAOLMYPZKE-UHFFFAOYSA-N
Physicochemical Property
logP
1.8543
Rotatable Bonds
5
Heavy Atom Count
17
Polar Areas
42.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 57399145
ChEMBL ID
CHEMBL1956196
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 97.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 3162.28 nM
   TI
   LI
   LO
   TS
2
Ki = 1318.26 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 10000 nM
   TI
   LI
   LO
   TS
2
Ki = 758.58 nM
   TI
   LI
   LO
   TS