General Information of the Compound
Compound ID
CP0373595
Compound Name
2-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]phenol
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Structure
Formula
C17H18N2O2
Molecular Weight
282.343
Canonical SMILES
CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1
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InChI
InChI=1S/C17H18N2O2/c1-12(17-18-10-11-19-17)21-16-9-5-3-7-14(16)13-6-2-4-8-15(13)20/h2-9,12,20H,10-11H2,1H3,(H,18,19)
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InChIKey
ACFBDYFNLOKRTR-UHFFFAOYSA-N
Physicochemical Property
logP
2.8282
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
53.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 11199581
SID: 16486535
ChEMBL ID
CHEMBL373830
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 = 309.03 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 = 1000 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)  1
1
Ki = 1621.81 nM
   TI
   LI
   LO
   TS