General Information of the Compound
Compound ID
CP0378484
Compound Name
2-[(1R)-1-(2-phenylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
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Structure
Formula
C17H18N2O
Molecular Weight
266.344
Canonical SMILES
C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1
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InChI
InChI=1S/C17H18N2O/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)/t13-/m1/s1
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InChIKey
OGOLMGZJNRNULQ-CYBMUJFWSA-N
Physicochemical Property
logP
3.1226
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
33.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 11043720
SID: 16109077
ChEMBL ID
CHEMBL242265
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 = 28840.32 nM
   TI
   LI
   LO
   TS
2
Ki = 186.21 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 = 1258.93 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 = 112.2 nM
   TI
   LI
   LO
   TS
2
Ki = 977.24 nM
   TI
   LI
   LO
   TS
Protein ID: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki = 3.981 nM
   TI
   LI
   LO
   TS