General Information of the Compound
Compound ID
CP0376836
Compound Name
2-[1-(2-methoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole
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Structure
Formula
C12H16N2O2
Molecular Weight
220.272
Canonical SMILES
COc1ccccc1OC(C)C1=NCCN1
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InChI
InChI=1S/C12H16N2O2/c1-9(12-13-7-8-14-12)16-11-6-4-3-5-10(11)15-2/h3-6,9H,7-8H2,1-2H3,(H,13,14)
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InChIKey
SQPFWLZXWYXMCI-UHFFFAOYSA-N
Physicochemical Property
logP
1.4642
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
42.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 57402717
ChEMBL ID
CHEMBL1956199
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 = 57.54 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 = 100000 nM
   TI
   LI
   LO
   TS
2
Ki = 870.96 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 = 9772.37 nM
   TI
   LI
   LO
   TS
2
Ki = 831.76 nM
   TI
   LI
   LO
   TS