General Information of the Compound
Compound ID
CP0048455
Compound Name
N-(4,5-dihydro-1H-imidazol-2-yl)-5-iodoquinoxalin-6-amine
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Structure
Formula
C11H10IN5
Molecular Weight
339.14
Canonical SMILES
Ic1c(NC2=NCCN2)ccc2nccnc12
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InChI
InChI=1S/C11H10IN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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InChIKey
YYTGOWDNUUXBGS-UHFFFAOYSA-N
Physicochemical Property
logP
1.6055
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
62.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 10382537
SID: 15397694
ChEMBL ID
CHEMBL70676
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 = 42.66 nM
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