
 SCHEMBL2194695

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.4625   -0.0162    0.2433 C   0  0  0  0  0
   -0.6503   -1.0094    0.7866 C   0  0  0  0  0
    0.7346   -0.9543    0.6178 C   0  0  0  0  0
    1.3122    0.1047   -0.0945 C   0  0  0  0  0
    0.4910    1.1020   -0.6410 C   0  0  0  0  0
   -0.8936    1.0360   -0.4714 C   0  0  0  0  0
    2.7224    0.1756   -0.2579 N   0  0  0  0  0
    3.4886    1.3247   -0.2868 C   0  0  0  0  0
    4.7781    0.9022   -0.4559 C   0  0  0  0  0
    5.8513    1.8172   -0.5066 C   0  0  0  0  0
    5.6171    3.1329   -0.3646 C   0  0  0  0  0
    4.2387    3.6420   -0.1381 C   0  0  0  0  0
    3.9455    4.8103    0.0245 O   0  0  0  0  0
    3.1904    2.6643   -0.1020 N   0  0  0  0  0
    4.8846   -0.4405   -0.5151 N   0  0  0  0  0
    3.6454   -0.8759   -0.4030 C   0  0  0  0  0
    3.3007   -2.1745   -0.5071 N   0  0  0  0  0
   -2.5415   -0.0655    0.3739 H   0  0  0  0  0
   -1.0974   -1.8253    1.3510 H   0  0  0  0  0
    1.3386   -1.7250    1.0932 H   0  0  0  0  0
    0.8872    1.9044   -1.2574 H   0  0  0  0  0
   -1.5358    1.7972   -0.9099 H   0  0  0  0  0
    6.8573    1.4385   -0.6585 H   0  0  0  0  0
    6.4066    3.8726   -0.3935 H   0  0  0  0  0
    2.2566    2.9854    0.1144 H   0  0  0  0  0
    4.0472   -2.7984   -0.8080 H   0  0  0  0  0
    2.4043   -2.4346   -0.9095 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 21  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>
SCHEMBL2194695

>  <PubChem CID>
58345681

>  <Formula>
C12H10N4O

>  <Molecular Weight>
226.239000

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

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C12H10N4O/c13-12-14-9-6-7-10(17)15-11(9)16(12)8-4-2-1-3-5-8/h1-7H,(H2,13,14)(H,15,17)

>  <InChI Key>
LEXFUQKFQKVMDN-UHFFFAOYSA-N

