
 SCHEMBL2193355

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.8356    1.1609   -0.6537 C   0  0  0  0  0
   -1.4737    0.2368    0.1692 C   0  0  0  0  0
   -0.7226   -0.7007    0.8790 C   0  0  0  0  0
    0.6717   -0.7286    0.7644 C   0  0  0  0  0
    1.3157    0.1903   -0.0770 C   0  0  0  0  0
    0.5545    1.1454   -0.7754 C   0  0  0  0  0
    2.7216    0.2078   -0.2516 N   0  0  0  0  0
    3.5190    1.3336   -0.2362 C   0  0  0  0  0
    4.7832    0.8943   -0.5109 C   0  0  0  0  0
    5.8754    1.7865   -0.5540 C   0  0  0  0  0
    5.6812    3.0937   -0.3093 C   0  0  0  0  0
    4.3277    3.6186    0.0163 C   0  0  0  0  0
    4.0703    4.7810    0.2612 O   0  0  0  0  0
    3.2578    2.6633    0.0428 N   0  0  0  0  0
    4.8372   -0.4375   -0.7164 N   0  0  0  0  0
    3.5909   -0.8464   -0.5775 C   0  0  0  0  0
    3.1842   -2.1048   -0.8294 N   0  0  0  0  0
    1.5108   -1.8238    1.8045 Cl  0  0  0  0  0
   -1.4267    1.8837   -1.2135 H   0  0  0  0  0
   -2.5580    0.2478    0.2634 H   0  0  0  0  0
   -1.2360   -1.3989    1.5380 H   0  0  0  0  0
    1.0144    1.8492   -1.4671 H   0  0  0  0  0
    6.8619    1.3979   -0.7868 H   0  0  0  0  0
    6.4863    3.8167   -0.3302 H   0  0  0  0  0
    2.3357    2.9914    0.2986 H   0  0  0  0  0
    3.9280   -2.7935   -0.9239 H   0  0  0  0  0
    2.3715   -2.4913   -0.3570 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  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 21  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 22  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>
SCHEMBL2193355

>  <PubChem CID>
58345652

>  <Formula>
C12H9ClN4O

>  <Molecular Weight>
260.681000

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

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C(=C1)N2C3=C(C=CC(=O)N3)N=C2N)Cl

>  <Isomeric SMILES>
C1=CC=C(C(=C1)N2C3=C(C=CC(=O)N3)N=C2N)Cl

>  <InChI Std. ID>
InChI=1S/C12H9ClN4O/c13-7-3-1-2-4-9(7)17-11-8(15-12(17)14)5-6-10(18)16-11/h1-6H,(H2,14,15)(H,16,18)

>  <InChI Key>
NEIXUPDLVKEPHF-UHFFFAOYSA-N

