
 CHEMBL74283

 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.5912    0.9513   -0.5717 C   0  0  0  0  0
   -2.6860   -0.3071    0.2993 C   0  0  0  0  0
   -1.5759   -1.2114    0.0086 N   0  0  0  0  0
   -0.3117   -0.5559    0.0402 C   0  0  0  0  0
   -0.2117    0.8418   -0.1776 C   0  0  0  0  0
   -1.3414    1.6883   -0.3409 N   0  0  0  0  0
    1.0470    1.4505   -0.1624 C   0  0  0  0  0
    2.2089    0.6966    0.0200 C   0  0  0  0  0
    2.1532   -0.6897    0.1980 C   0  0  0  0  0
    0.8811   -1.3057    0.1771 C   0  0  0  0  0
    0.7662   -3.2072    0.4062 Br  0  0  0  0  0
    3.3249   -1.4666    0.3522 N   0  0  0  0  0
    4.4901   -1.0785    0.9350 C   0  0  0  0  0
    4.8249    0.0673    1.4535 N   0  0  0  0  0
    6.2025   -0.1430    1.9676 C   0  0  0  0  0
    6.6857   -1.4597    1.3612 C   0  0  0  0  0
    5.4347   -2.0681    0.9557 N   0  0  0  0  0
   -3.4362    1.6152   -0.3598 H   0  0  0  0  0
   -2.6494    0.6801   -1.6331 H   0  0  0  0  0
   -3.6280   -0.8268    0.0956 H   0  0  0  0  0
   -2.6788   -0.0412    1.3640 H   0  0  0  0  0
   -1.5598   -2.0582    0.5726 H   0  0  0  0  0
   -1.4015    2.2990    0.4720 H   0  0  0  0  0
    1.1317    2.5235   -0.3165 H   0  0  0  0  0
    3.1656    1.2131    0.0017 H   0  0  0  0  0
    3.1208   -2.4523    0.4662 H   0  0  0  0  0
    6.8526    0.6899    1.6831 H   0  0  0  0  0
    6.1692   -0.2007    3.0614 H   0  0  0  0  0
    7.2306   -2.0769    2.0802 H   0  0  0  0  0
    7.3186   -1.2768    0.4863 H   0  0  0  0  0
    5.4856   -2.6028    0.0965 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 17 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL74283

>  <PubChem CID>
131829

>  <Formula>
C11H14BrN5

>  <Molecular Weight>
296.172000

>  <IUPAC Name>
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-amine

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNC2=C(N1)C=CC(=C2Br)NC3=NCCN3

>  <Isomeric SMILES>
C1CNC2=C(N1)C=CC(=C2Br)NC3=NCCN3

>  <InChI Std. ID>
InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)

>  <InChI Key>
CETMNKCDAHCKRC-UHFFFAOYSA-N

