General Information of the Compound
Compound ID
CP0386168
Compound Name
(E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-phenylmethoxymethanimine
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Structure
Formula
C19H21N3O2
Molecular Weight
323.396
Canonical SMILES
CC(Oc1ccccc1\C=N\OCc1ccccc1)C1=NCCN1
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InChI
InChI=1S/C19H21N3O2/c1-15(19-20-11-12-21-19)24-18-10-6-5-9-17(18)13-22-23-14-16-7-3-2-4-8-16/h2-10,13,15H,11-12,14H2,1H3,(H,20,21)/b22-13+
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InChIKey
KUWSYGHOSHDWCB-LPYMAVHISA-N
Physicochemical Property
logP
3.0063
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
55.21
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 24906197
SID: 53800376
ChEMBL ID
CHEMBL495097
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 = 213.8 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 = 31622.78 nM
   TI
   LI
   LO
   TS
2
Ki = 870.96 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 = 3548.13 nM
   TI
   LI
   LO
   TS
2
Ki = 676.08 nM
   TI
   LI
   LO
   TS