General Information of the Compound
Compound ID
CP0396660
Compound Name
2-[phenyl-(2-phenylphenoxy)methyl]-4,5-dihydro-1H-imidazole
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Structure
Formula
C22H20N2O
Molecular Weight
328.415
Canonical SMILES
C1CN=C(N1)C(Oc1ccccc1-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C22H20N2O/c1-3-9-17(10-4-1)19-13-7-8-14-20(19)25-21(22-23-15-16-24-22)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,23,24)
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InChIKey
XXOSLSPHUHLICG-UHFFFAOYSA-N
Physicochemical Property
logP
4.4754
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
33.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 24906200
SID: 53800379
ChEMBL ID
CHEMBL523048
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)  2
1
EC50 = 1000 nM
   TI
   LI
   LO
   TS
2
Ki = 239.88 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)  1
1
Ki = 954.99 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 = 776.25 nM
   TI
   LI
   LO
   TS
2
Ki = 204.17 nM
   TI
   LI
   LO
   TS