
 CHEMBL1019

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.1847    0.8333    0.2852 C   0  0  0  0  0
   -0.0419    1.6312    0.3559 C   0  0  0  0  0
    1.2273    1.0987    0.2055 C   0  0  0  0  0
    2.2799    1.9339    0.2954 N   0  0  0  0  0
    3.5030    1.3866    0.1423 C   0  0  0  0  0
    3.6752    0.0425   -0.0939 C   0  0  0  0  0
    2.6301   -0.8059   -0.1855 N   0  0  0  0  0
    1.3818   -0.2872   -0.0366 C   0  0  0  0  0
    0.2177   -1.0752   -0.1088 C   0  0  0  0  0
   -1.0817   -0.5383    0.0500 C   0  0  0  0  0
   -2.2118   -1.3870    0.0298 N   0  0  0  0  0
   -3.4667   -1.1575    0.4581 C   0  0  0  0  0
   -4.5738   -1.6559   -0.0406 N   0  0  0  0  0
   -5.5868   -1.1981    0.7633 C   0  0  0  0  0
   -5.0854   -0.4420    1.7945 C   0  0  0  0  0
   -3.7321   -0.4461    1.6010 N   0  0  0  0  0
    0.4062   -2.9577   -0.4344 Br  0  0  0  0  0
   -2.1526    1.3206    0.3696 H   0  0  0  0  0
   -0.1463    2.7012    0.5251 H   0  0  0  0  0
    4.3442    2.0659    0.2158 H   0  0  0  0  0
    4.6588   -0.3958   -0.2166 H   0  0  0  0  0
   -2.1191   -2.1412   -0.6492 H   0  0  0  0  0
   -6.6204   -1.4495    0.5629 H   0  0  0  0  0
   -5.5518    0.0629    2.6279 H   0  0  0  0  0
   -3.0318   -0.0392    2.2018 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 17  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 22  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 23  1  0  0  0
 15 16  1  0  0  0
 15 24  1  0  0  0
 16 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1019

>  <PubChem CID>
10214826

>  <Formula>
C11H8BrN5

>  <Molecular Weight>
290.124000

>  <IUPAC Name>
5-bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine

>  <XlogP>
1.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC2=NC=CN=C2C(=C1NC3=NC=CN3)Br

>  <Isomeric SMILES>
C1=CC2=NC=CN=C2C(=C1NC3=NC=CN3)Br

>  <InChI Std. ID>
InChI=1S/C11H8BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-6H,(H2,15,16,17)

>  <InChI Key>
FJXZFBTUCZEINA-UHFFFAOYSA-N

