
 CHEMBL338704

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.3445    0.0627    0.3743 C   0  0  0  0  0
    2.6939    0.1044   -0.1857 N   0  0  0  0  0
    3.1089   -1.2244   -0.7085 C   0  0  0  0  0
    2.4625   -1.6161   -2.0574 C   0  0  0  0  0
    2.7163   -0.5692   -3.0597 N   0  0  0  0  0
    2.1661    0.7267   -2.6146 C   0  0  0  0  0
    2.8054    1.1232   -1.2602 C   0  0  0  0  0
    3.8534   -0.5744   -3.8788 C   0  0  0  0  0
    4.0060    0.4467   -4.7060 N   0  0  0  0  0
    5.0899    0.4947   -5.5610 C   0  0  0  0  0
    6.0563   -0.4386   -5.6308 C   0  0  0  0  0
    5.9481   -1.5219   -4.7693 N   0  0  0  0  0
    4.8848   -1.6222   -3.8977 C   0  0  0  0  0
    4.9770   -2.6965   -3.1357 N   0  0  0  0  0
    6.1219   -3.3273   -3.5440 C   0  0  0  0  0
    6.7377   -2.6255   -4.5539 C   0  0  0  0  0
    7.4881   -0.2985   -6.8173 Br  0  0  0  0  0
    1.0822    1.0351    0.8057 H   0  0  0  0  0
    1.2943   -0.6630    1.1937 H   0  0  0  0  0
    0.5769   -0.2003   -0.3600 H   0  0  0  0  0
    2.9043   -2.0012    0.0384 H   0  0  0  0  0
    4.1995   -1.2038   -0.8266 H   0  0  0  0  0
    2.7884   -2.6045   -2.3875 H   0  0  0  0  0
    1.3775   -1.7163   -1.9275 H   0  0  0  0  0
    2.3292    1.5243   -3.3471 H   0  0  0  0  0
    1.0788    0.6357   -2.5072 H   0  0  0  0  0
    3.8747    1.3126   -1.4224 H   0  0  0  0  0
    2.3834    2.0763   -0.9189 H   0  0  0  0  0
    5.1184    1.3676   -6.2085 H   0  0  0  0  0
    6.4473   -4.2543   -3.0881 H   0  0  0  0  0
    7.6454   -2.8113   -5.1094 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 16 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL338704

>  <PubChem CID>
10266538

>  <Formula>
C11H14BrN5

>  <Molecular Weight>
296.172000

>  <IUPAC Name>
5-bromo-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazine

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC=C(N3C2=NC=C3)Br

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC=C(N3C2=NC=C3)Br

>  <InChI Std. ID>
InChI=1S/C11H14BrN5/c1-15-4-6-16(7-5-15)10-11-13-2-3-17(11)9(12)8-14-10/h2-3,8H,4-7H2,1H3

>  <InChI Key>
GGMJIGKSISOICZ-UHFFFAOYSA-N

