General Information of the Compound
Compound ID
CP0039358
Compound Name
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylquinoxalin-6-amine
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Structure
Formula
C12H12BrN5
Molecular Weight
306.167
Canonical SMILES
Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1
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InChI
InChI=1S/C12H12BrN5/c1-7-6-16-11-9(17-7)3-2-8(10(11)13)18-12-14-4-5-15-12/h2-3,6H,4-5H2,1H3,(H2,14,15,18)
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InChIKey
ICROYPJYNVAMQF-UHFFFAOYSA-N
Physicochemical Property
logP
2.07182
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
62.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 15675860
ChEMBL ID
CHEMBL72147
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 = 323.59 nM
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