General Information of the Compound
Compound ID
CP0391378
Compound Name
2-[1-(2-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
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Structure
Formula
C14H20N2O
Molecular Weight
232.327
Canonical SMILES
CC(C)c1ccccc1OC(C)C1=NCCN1
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InChI
InChI=1S/C14H20N2O/c1-10(2)12-6-4-5-7-13(12)17-11(3)14-15-8-9-16-14/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)
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InChIKey
DAEHQHNTEAMXQC-UHFFFAOYSA-N
Physicochemical Property
logP
2.579
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
33.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 44269089
ChEMBL ID
CHEMBL266613
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 = 72.44 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 = 251.19 nM
   TI
   LI
   LO
   TS
2
Ki = 933.25 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 = 398.11 nM
   TI
   LI
   LO
   TS
2
Ki = 457.09 nM
   TI
   LI
   LO
   TS