
 SCHEMBL2191732

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.1748    0.4871    0.9747 C   0  0  0  0  0
    2.4630    0.2048    0.2471 C   0  0  0  0  0
    3.2564    1.3098   -0.1067 C   0  0  0  0  0
    4.5099    1.1389   -0.6953 C   0  0  0  0  0
    4.9958   -0.1405   -0.9424 C   0  0  0  0  0
    4.2215   -1.2538   -0.6210 C   0  0  0  0  0
    2.9506   -1.0860   -0.0469 C   0  0  0  0  0
    2.1666   -2.2417    0.1800 N   0  0  0  0  0
    0.8857   -2.4514   -0.2895 C   0  0  0  0  0
    0.5411   -3.7117    0.1209 C   0  0  0  0  0
   -0.7156   -4.2659   -0.2035 C   0  0  0  0  0
   -1.5865   -3.5610   -0.9462 C   0  0  0  0  0
   -1.2445   -2.2020   -1.4471 C   0  0  0  0  0
   -1.9670   -1.5104   -2.1368 O   0  0  0  0  0
    0.0442   -1.6918   -1.0808 N   0  0  0  0  0
    1.5338   -4.3313    0.7941 N   0  0  0  0  0
    2.5034   -3.4374    0.7974 C   0  0  0  0  0
    3.9753   -3.6411    1.6380 Cl  0  0  0  0  0
    1.2891    1.3573    1.6314 H   0  0  0  0  0
    0.8811   -0.3446    1.6218 H   0  0  0  0  0
    0.3717    0.6991    0.2637 H   0  0  0  0  0
    2.9147    2.3233    0.1024 H   0  0  0  0  0
    5.1147    2.0077   -0.9475 H   0  0  0  0  0
    5.9768   -0.2697   -1.3952 H   0  0  0  0  0
    4.6178   -2.2379   -0.8661 H   0  0  0  0  0
   -0.9594   -5.2622    0.1532 H   0  0  0  0  0
   -2.5610   -3.9441   -1.2225 H   0  0  0  0  0
    0.3211   -0.7880   -1.4440 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  2  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  8 17  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 15  1  0  0  0
 10 11  1  0  0  0
 10 16  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 28  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2191732

>  <PubChem CID>
58345734

>  <Formula>
C13H10ClN3O

>  <Molecular Weight>
259.693000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=CC=C1N2C3=C(C=CC(=O)N3)N=C2Cl

>  <Isomeric SMILES>
CC1=CC=CC=C1N2C3=C(C=CC(=O)N3)N=C2Cl

>  <InChI Std. ID>
InChI=1S/C13H10ClN3O/c1-8-4-2-3-5-10(8)17-12-9(15-13(17)14)6-7-11(18)16-12/h2-7H,1H3,(H,16,18)

>  <InChI Key>
BNAGMXXSIXFKBW-UHFFFAOYSA-N

