General Information of the Compound
Compound ID
CP0430994
Compound Name
2-[1-(2-methylphenyl)ethoxy]-4,5-dihydro-1H-imidazole
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Structure
Formula
C12H16N2O
Molecular Weight
204.273
Canonical SMILES
CC(OC1=NCCN1)c1ccccc1C
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InChI
InChI=1S/C12H16N2O/c1-9-5-3-4-6-11(9)10(2)15-12-13-7-8-14-12/h3-6,10H,7-8H2,1-2H3,(H,13,14)
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InChIKey
NGYGSYPEYBVPQK-UHFFFAOYSA-N
Physicochemical Property
logP
2.03182
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
33.62
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: 45487089
ChEMBL ID
CHEMBL570863
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 = 24.55 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 = 5011.87 nM
   TI
   LI
   LO
   TS
2
Ki = 269.15 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 = 63.1 nM
   TI
   LI
   LO
   TS
2
Ki = 269.15 nM
   TI
   LI
   LO
   TS