General Information of the Compound
Compound ID
CP0385264
Compound Name
2-((E)-Styryl)-4,5-dihydro-1H-imidazole
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Synonyms
1H-Imidazole, 4,5-dihydro-2-(2-phenylethenyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole
65295-26-3
AC1O5AS5
AKOS030531161
TRACIZOLINE
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Structure
Formula
C11H12N2
Molecular Weight
172.231
Canonical SMILES
C1CN=C(N1)\C=C\c1ccccc1
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InChI
InChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2,(H,12,13)/b7-6+
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InChIKey
IGISUADTPSLENQ-VOTSOKGWSA-N
Physicochemical Property
logP
1.7015
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 6455104
SID: 16263404
ChEMBL ID
CHEMBL275970
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: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  2
1
Ki = 18.62 nM
   TI
   LI
   LO
   TS
2
Ki = 19.05 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( TRACIZOLINE )
Drug Name TRACIZOLINE
Target(s)
Adrenergic receptor alpha-2C (ADRA2C)
Inhibitor
Monoamine oxidase type A (MAO-A)
Inhibitor
Adrenergic receptor alpha-2B (ADRA2B)
Inhibitor
Monoamine oxidase type B (MAO-B)
Inhibitor
Adrenergic receptor alpha-2A (ADRA2A)
Inhibitor