General Information of the Compound
Compound ID
CP0058790
Compound Name
5-bromo-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
    Show/Hide
Structure
Formula
C12H12BrN5
Molecular Weight
306.167
Canonical SMILES
CC1CN=C(Nc2ccc3nccnc3c2Br)N1
    Show/Hide
InChI
InChI=1S/C12H12BrN5/c1-7-6-16-12(17-7)18-8-2-3-9-11(10(8)13)15-5-4-14-9/h2-5,7H,6H2,1H3,(H2,16,17,18)
    Show/Hide
InChIKey
XBTUHMKOYJCXOJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.1519
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44312036
ChEMBL ID
CHEMBL72995
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 = 3235.94 nM
   TI
   LI
   LO
   TS