General Information of the Compound
Compound ID
CP0376827
Compound Name
2-[1-(2,6-diphenylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
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Structure
Formula
C23H22N2O
Molecular Weight
342.442
Canonical SMILES
CC(Oc1c(cccc1-c1ccccc1)-c1ccccc1)C1=NCCN1
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InChI
InChI=1S/C23H22N2O/c1-17(23-24-15-16-25-23)26-22-20(18-9-4-2-5-10-18)13-8-14-21(22)19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3,(H,24,25)
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InChIKey
YCFVUTASHGKCKL-UHFFFAOYSA-N
Physicochemical Property
logP
4.7896
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
33.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 57395732
ChEMBL ID
CHEMBL1956203
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 = 489.78 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 = 199.53 nM
   TI
   LI
   LO
   TS
2
Ki = 4570.88 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 = 79.43 nM
   TI
   LI
   LO
   TS
2
Ki = 630.96 nM
   TI
   LI
   LO
   TS