
 SCHEMBL2195780

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.5022   -1.1107   -0.6312 C   0  0  0  0  0
    0.8855   -1.0512   -0.4694 C   0  0  0  0  0
    1.4596    0.0095    0.2282 C   0  0  0  0  0
    0.6597    1.0163    0.7632 C   0  0  0  0  0
   -0.7278    0.9644    0.6007 C   0  0  0  0  0
   -1.3158   -0.1013   -0.0950 C   0  0  0  0  0
   -2.7273   -0.1644   -0.2527 N   0  0  0  0  0
   -3.5033   -1.3086   -0.2725 C   0  0  0  0  0
   -4.7904   -0.8767   -0.4388 C   0  0  0  0  0
   -5.8713   -1.7827   -0.4816 C   0  0  0  0  0
   -5.6480   -3.0995   -0.3349 C   0  0  0  0  0
   -4.2733   -3.6190   -0.1110 C   0  0  0  0  0
   -3.9883   -4.7887    0.0557 O   0  0  0  0  0
   -3.2162   -2.6499   -0.0826 N   0  0  0  0  0
   -4.8865    0.4663   -0.5042 N   0  0  0  0  0
   -3.6440    0.8928   -0.4009 C   0  0  0  0  0
   -3.2913    2.1885   -0.5142 N   0  0  0  0  0
    3.3348    0.0845    0.4447 Br  0  0  0  0  0
   -0.9054   -1.9196   -1.2350 H   0  0  0  0  0
    1.5134   -1.8267   -0.9034 H   0  0  0  0  0
    1.1052    1.8410    1.3157 H   0  0  0  0  0
   -1.3253    1.7453    1.0686 H   0  0  0  0  0
   -6.8746   -1.3962   -0.6317 H   0  0  0  0  0
   -6.4438   -3.8328   -0.3581 H   0  0  0  0  0
   -2.2858   -2.9814    0.1326 H   0  0  0  0  0
   -4.0395    2.8149   -0.8070 H   0  0  0  0  0
   -2.4029    2.4416   -0.9382 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  7 16  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 14  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 11  2  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 25  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 26  1  0  0  0
 17 27  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2195780

>  <PubChem CID>
58345668

>  <Formula>
C12H9BrN4O

>  <Molecular Weight>
305.135000

>  <IUPAC Name>
2-amino-3-(4-bromophenyl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=CC=C1N2C3=C(C=CC(=O)N3)N=C2N)Br

>  <Isomeric SMILES>
C1=CC(=CC=C1N2C3=C(C=CC(=O)N3)N=C2N)Br

>  <InChI Std. ID>
InChI=1S/C12H9BrN4O/c13-7-1-3-8(4-2-7)17-11-9(15-12(17)14)5-6-10(18)16-11/h1-6H,(H2,14,15)(H,16,18)

>  <InChI Key>
GVRXWIPHLABECD-UHFFFAOYSA-N

