General Information of the Compound
Compound ID
CP0052015
Compound Name
N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
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Synonyms
6-Quinoxalinamine, N-(4,5-dihydro-1H-imidazol-2-yl)-
91147-43-2
AKOS030240596
BDBM50213029
Brimonidine impurity II
CHEMBL49395
CTK3I1267
DTXSID00436663
Imidazolidin-2-ylidene-quinoxalin-6-yl-amine
MolPort-039-240-453
N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-6-QUINOXALINAMINE
N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
N-quinoxalin-6-ylimidazolidin-2-imine
SCHEMBL12860178
SCHEMBL679239
ZINC14042
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Structure
Formula
C11H11N5
Molecular Weight
213.244
Canonical SMILES
C1CN=C(Nc2ccc3nccnc3c2)N1
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InChI
InChI=1S/C11H11N5/c1-2-9-10(13-4-3-12-9)7-8(1)16-11-14-5-6-15-11/h1-4,7H,5-6H2,(H2,14,15,16)
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InChIKey
PVKUNRLEOHFACD-UHFFFAOYSA-N
Physicochemical Property
logP
1.0009
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
62.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
16

"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: 10198248
SID: 15195786
ChEMBL ID
CHEMBL49395
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: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000392 Y1 Mus musculus (Mouse)  1
1
Ki = 218.78 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Imidazolidin-2-ylidene-quinoxalin-6-yl-amine )
Drug Name Imidazolidin-2-ylidene-quinoxalin-6-yl-amine
Target(s)
Adrenergic receptor alpha-1B (ADRA1B)
Inhibitor
Adrenergic receptor alpha-1A (ADRA1A)
Inhibitor
Adrenergic receptor alpha-1D (ADRA1D)
Inhibitor