General Information of the Compound
Compound ID
CP0419106
Compound Name
2-[1-(2-propylphenyl)ethoxy]-4,5-dihydro-1H-imidazole
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Structure
Formula
C14H20N2O
Molecular Weight
232.327
Canonical SMILES
CCCc1ccccc1C(C)OC1=NCCN1
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InChI
InChI=1S/C14H20N2O/c1-3-6-12-7-4-5-8-13(12)11(2)17-14-15-9-10-16-14/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,15,16)
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InChIKey
CKZOGIXOGHVXNW-UHFFFAOYSA-N
Physicochemical Property
logP
2.6759
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: 45487955
ChEMBL ID
CHEMBL576078
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 = 50.12 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 = 3162.28 nM
   TI
   LI
   LO
   TS
2
Ki = 537.03 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 = 25.12 nM
   TI
   LI
   LO
   TS
2
Ki = 147.91 nM
   TI
   LI
   LO
   TS