
 CHEMBL49137

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.1637   -1.4648    0.0539 C   0  0  0  0  0
    2.6427   -1.1582    0.1523 C   0  0  0  0  0
    3.0934    0.1670    0.3927 C   0  0  0  0  0
    4.4719    0.3709    0.5009 C   0  0  0  0  0
    5.3776   -0.6727    0.3140 C   0  0  0  0  0
    4.9488   -1.9537    0.0338 C   0  0  0  0  0
    5.8760   -2.9171   -0.1400 N   0  0  0  0  0
    5.4148   -4.1544   -0.4064 C   0  0  0  0  0
    4.0691   -4.4256   -0.4980 C   0  0  0  0  0
    3.1305   -3.4706   -0.3259 N   0  0  0  0  0
    3.5581   -2.2137   -0.0533 C   0  0  0  0  0
    2.1652    1.2072    0.6253 N   0  0  0  0  0
    2.3922    2.5442    0.7391 C   0  0  0  0  0
    3.4921    3.2281    0.6232 N   0  0  0  0  0
    3.0873    4.6403    0.8347 C   0  0  0  0  0
    1.6733    4.5914    1.4088 C   0  0  0  0  0
    1.2596    3.2488    1.0496 N   0  0  0  0  0
    0.6041   -0.9536    0.8427 H   0  0  0  0  0
    0.9458   -2.5289    0.1816 H   0  0  0  0  0
    0.7863   -1.1514   -0.9242 H   0  0  0  0  0
    4.8802    1.3507    0.7305 H   0  0  0  0  0
    6.4431   -0.4728    0.3917 H   0  0  0  0  0
    6.1643   -4.9240   -0.5438 H   0  0  0  0  0
    3.7023   -5.4224   -0.7119 H   0  0  0  0  0
    1.2259    0.9986    0.3210 H   0  0  0  0  0
    3.7790    5.1412    1.5189 H   0  0  0  0  0
    3.1070    5.1654   -0.1266 H   0  0  0  0  0
    1.0196    5.3552    0.9791 H   0  0  0  0  0
    1.6921    4.7018    2.4986 H   0  0  0  0  0
    0.6752    2.7974    1.7432 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  1  0  0  0
 15 26  1  0  0  0
 15 27  1  0  0  0
 16 17  1  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL49137

>  <PubChem CID>
185076

>  <Formula>
C12H13N5

>  <Molecular Weight>
227.271000

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

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C=CC2=NC=CN=C12)NC3=NCCN3

>  <Isomeric SMILES>
CC1=C(C=CC2=NC=CN=C12)NC3=NCCN3

>  <InChI Std. ID>
InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)

>  <InChI Key>
QZUXRMOPAGPTIY-UHFFFAOYSA-N

