
 CHEMBL75491

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.1635   -1.0234   -0.8062 C   0  0  0  0  0
    2.6003   -0.7251   -0.4432 C   0  0  0  0  0
    3.0601    0.6120   -0.3822 C   0  0  0  0  0
    4.3921    0.8424   -0.0269 C   0  0  0  0  0
    5.2455   -0.2203    0.2659 C   0  0  0  0  0
    4.8034   -1.5301    0.2231 C   0  0  0  0  0
    5.6767   -2.5107    0.5247 N   0  0  0  0  0
    5.2024   -3.7720    0.4832 C   0  0  0  0  0
    3.8960   -4.0496    0.1514 C   0  0  0  0  0
    3.0112   -3.0773   -0.1554 N   0  0  0  0  0
    3.4559   -1.7982   -0.1266 C   0  0  0  0  0
    2.1782    1.6739   -0.6872 N   0  0  0  0  0
    2.4846    2.9157   -1.1096 C   0  0  0  0  0
    1.8189    4.0214   -0.8679 N   0  0  0  0  0
    2.4741    5.0097   -1.5580 C   0  0  0  0  0
    3.5385    4.4930   -2.2569 C   0  0  0  0  0
    3.5187    3.1549   -1.9796 N   0  0  0  0  0
    0.7751   -0.3030   -1.5333 H   0  0  0  0  0
    0.5409   -0.9933    0.0935 H   0  0  0  0  0
    1.0568   -2.0063   -1.2764 H   0  0  0  0  0
    4.7788    1.8538    0.0746 H   0  0  0  0  0
    6.2750   -0.0197    0.5520 H   0  0  0  0  0
    5.9085   -4.5569    0.7271 H   0  0  0  0  0
    3.5184   -5.0650    0.1206 H   0  0  0  0  0
    1.3096    1.6156   -0.1601 H   0  0  0  0  0
    2.1373    6.0377   -1.5222 H   0  0  0  0  0
    4.2701    4.9393   -2.9144 H   0  0  0  0  0
    4.1285    2.4442   -2.3546 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  3  2  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  5  2  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 25  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 26  1  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
 17 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL75491

>  <PubChem CID>
9794524

>  <Formula>
C12H11N5

>  <Molecular Weight>
225.255000

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

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=CC2=NC=CN=C12)NC3=NC=CN3

>  <Isomeric SMILES>
CC1=C(C=CC2=NC=CN=C12)NC3=NC=CN3

>  <InChI Std. ID>
InChI=1S/C12H11N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-7H,1H3,(H2,15,16,17)

>  <InChI Key>
AEWIKTWIKIWVNJ-UHFFFAOYSA-N

