
 SCHEMBL2196115

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.8900    1.4230    0.1288 C   0  0  0  0  0
   -2.0685    0.8055    0.3196 C   0  0  0  0  0
   -2.1522   -0.6774    0.3719 C   0  0  0  0  0
   -3.1743   -1.3120    0.5447 O   0  0  0  0  0
   -0.9214   -1.3954    0.2104 N   0  0  0  0  0
    0.2603   -0.7075   -0.0040 C   0  0  0  0  0
    0.2866    0.6602   -0.0281 C   0  0  0  0  0
    1.5317    1.1570   -0.1723 N   0  0  0  0  0
    2.3034    0.0941   -0.2537 C   0  0  0  0  0
    1.5773   -1.1063   -0.1471 N   0  0  0  0  0
    2.0979   -2.4296   -0.0588 C   0  0  0  0  0
    1.5057   -3.5318   -0.7095 C   0  0  0  0  0
    2.0424   -4.8269   -0.5261 C   0  0  0  0  0
    3.1703   -5.0046    0.2895 C   0  0  0  0  0
    3.7661   -3.9067    0.9108 C   0  0  0  0  0
    3.2375   -2.6280    0.7391 C   0  0  0  0  0
    3.8872   -6.5521    0.5716 Cl  0  0  0  0  0
    1.3167   -6.2024   -1.3054 Cl  0  0  0  0  0
    0.2110   -3.3029   -1.8505 Cl  0  0  0  0  0
    3.6323    0.1475   -0.4726 N   0  0  0  0  0
   -0.8230    2.5058    0.0948 H   0  0  0  0  0
   -2.9975    1.3464    0.4453 H   0  0  0  0  0
   -0.9671   -2.4061    0.2193 H   0  0  0  0  0
    4.6414   -4.0431    1.5453 H   0  0  0  0  0
    3.7111   -1.8048    1.2761 H   0  0  0  0  0
    3.9929    1.0714   -0.7092 H   0  0  0  0  0
    4.1036   -0.5841   -0.9970 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 20  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 24  1  0  0  0
 16 25  1  0  0  0
 20 26  1  0  0  0
 20 27  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2196115

>  <PubChem CID>
58345743

>  <Formula>
C12H7Cl3N4O

>  <Molecular Weight>
329.565000

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

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=O)NC2=C1N=C(N2C3=C(C(=C(C=C3)Cl)Cl)Cl)N

>  <Isomeric SMILES>
C1=CC(=O)NC2=C1N=C(N2C3=C(C(=C(C=C3)Cl)Cl)Cl)N

>  <InChI Std. ID>
InChI=1S/C12H7Cl3N4O/c13-5-1-3-7(10(15)9(5)14)19-11-6(17-12(19)16)2-4-8(20)18-11/h1-4H,(H2,16,17)(H,18,20)

>  <InChI Key>
CGXUJWWYPFUIEM-UHFFFAOYSA-N

