
 CHEMBL124926

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.6049    1.1925   -0.2785 C   0  0  0  0  0
   -0.7396    1.1991    0.4860 C   0  0  0  0  0
   -1.5383    0.0217    0.0979 N   0  0  0  0  0
   -0.7967   -1.2245    0.3838 C   0  0  0  0  0
    0.5478   -1.2228   -0.3787 C   0  0  0  0  0
    1.3925   -0.0447   -0.0698 N   0  0  0  0  0
   -2.4067    0.0606   -1.0039 C   0  0  0  0  0
   -2.5847   -1.0565   -1.6835 N   0  0  0  0  0
   -3.4262   -1.0775   -2.7738 C   0  0  0  0  0
   -4.1283   -0.0255   -3.2357 C   0  0  0  0  0
   -3.9914    1.1829   -2.5504 N   0  0  0  0  0
   -3.1488    1.2499   -1.4486 C   0  0  0  0  0
   -3.1378    2.4476   -0.8955 N   0  0  0  0  0
   -3.9855    3.1988   -1.6581 C   0  0  0  0  0
   -4.5191    2.4518   -2.6809 C   0  0  0  0  0
   -5.7193    3.1427   -3.9292 Br  0  0  0  0  0
   -5.2275   -0.2242   -4.7301 Br  0  0  0  0  0
    0.4245    1.3212   -1.3528 H   0  0  0  0  0
    1.2098    2.0458    0.0469 H   0  0  0  0  0
   -1.2493    2.1487    0.3288 H   0  0  0  0  0
   -0.5421    1.1475    1.5647 H   0  0  0  0  0
   -0.6041   -1.2801    1.4632 H   0  0  0  0  0
   -1.3788   -2.1194    0.1378 H   0  0  0  0  0
    1.1095   -2.1279   -0.1230 H   0  0  0  0  0
    0.3689   -1.2549   -1.4601 H   0  0  0  0  0
    1.6513   -0.0920    0.9160 H   0  0  0  0  0
   -3.4958   -2.0447   -3.2673 H   0  0  0  0  0
   -4.1688    4.2415   -1.4300 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  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  7  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 17  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 28  1  0  0  0
 15 16  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL124926

>  <PubChem CID>
10316512

>  <Formula>
C10H11Br2N5

>  <Molecular Weight>
361.041000

>  <IUPAC Name>
3,5-dibromo-8-piperazin-1-ylimidazo[1,2-a]pyrazine

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1)C2=NC=C(N3C2=NC=C3Br)Br

>  <Isomeric SMILES>
C1CN(CCN1)C2=NC=C(N3C2=NC=C3Br)Br

>  <InChI Std. ID>
InChI=1S/C10H11Br2N5/c11-7-5-14-9(16-3-1-13-2-4-16)10-15-6-8(12)17(7)10/h5-6,13H,1-4H2

>  <InChI Key>
CEJIGBDVFFLFEB-UHFFFAOYSA-N

