General Information of the Compound
Compound ID
CP0202947
Compound Name
2-[1-(2-bromophenoxy)ethyl]-4,5-dihydro-1H-imidazole
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Structure
Formula
C11H13BrN2O
Molecular Weight
269.142
Canonical SMILES
CC(Oc1ccccc1Br)C1=NCCN1
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InChI
InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)
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InChIKey
NFGYJBCMYUYKCI-UHFFFAOYSA-N
Physicochemical Property
logP
2.2181
Rotatable Bonds
3
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: 57345626
SID: 136367116
ChEMBL ID
CHEMBL1956192
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 = 22.91 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 22.91 nM
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 = 316.23 nM
   TI
   LI
   LO
   TS
2
Ki = 354.81 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 316.23 nM
2 Ki = 354.81 nM
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 = 10 nM
   TI
   LI
   LO
   TS
2
Ki = 281.84 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 10 nM
2 Ki = 281.84 nM