
 SCHEMBL2194779

 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.2976   -0.5403   -0.7918 C   0  0  0  0  0
   -1.1859    0.9579   -0.4675 C   0  0  0  0  0
   -0.0232    1.0050    0.5418 C   0  0  0  0  0
   -0.2781   -0.2759    1.3401 C   0  0  0  0  0
   -0.2180   -1.1721    0.1054 C   0  0  0  0  0
    1.1742   -0.8380   -0.4657 C   0  0  0  0  0
    1.2885    0.6851   -0.2203 C   0  0  0  0  0
    2.4739    1.1424    0.4751 N   0  0  0  0  0
    3.1550    0.5191    1.4965 C   0  0  0  0  0
    4.1908    1.2239    1.9155 N   0  0  0  0  0
    4.1624    2.3343    1.1455 C   0  0  0  0  0
    3.1240    2.3255    0.2556 C   0  0  0  0  0
    2.8989    3.3681   -0.6149 N   0  0  0  0  0
    3.7784    4.5035   -0.5975 C   0  0  0  0  0
    3.5604    5.4136   -1.3738 O   0  0  0  0  0
    4.8969    4.4689    0.3842 C   0  0  0  0  0
    5.0607    3.4201    1.2085 C   0  0  0  0  0
   -1.1328   -0.7450   -1.8543 H   0  0  0  0  0
   -2.2939   -0.9091   -0.5228 H   0  0  0  0  0
   -2.1146    1.3139   -0.0070 H   0  0  0  0  0
   -0.9975    1.5610   -1.3613 H   0  0  0  0  0
    0.0020    1.9240    1.1321 H   0  0  0  0  0
   -1.2567   -0.2874    1.8324 H   0  0  0  0  0
    0.4964   -0.5003    2.0780 H   0  0  0  0  0
   -0.3701   -2.2378    0.2873 H   0  0  0  0  0
    1.9481   -1.4160    0.0481 H   0  0  0  0  0
    1.2401   -1.0762   -1.5331 H   0  0  0  0  0
    1.2991    1.1955   -1.1922 H   0  0  0  0  0
    2.8635   -0.4415    1.9043 H   0  0  0  0  0
    2.1342    3.3794   -1.2741 H   0  0  0  0  0
    5.5573    5.3264    0.3934 H   0  0  0  0  0
    5.8727    3.3885    1.9278 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2194779

>  <PubChem CID>
58345647

>  <Formula>
C13H15N3O

>  <Molecular Weight>
229.283000

>  <IUPAC Name>
3-(3-bicyclo[2.2.1]heptanyl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2CC1CC2N3C=NC4=C3NC(=O)C=C4

>  <Isomeric SMILES>
C1CC2CC1CC2N3C=NC4=C3NC(=O)C=C4

>  <InChI Std. ID>
InChI=1S/C13H15N3O/c17-12-4-3-10-13(15-12)16(7-14-10)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2,(H,15,17)

>  <InChI Key>
HLMDZXBAWBKDOY-UHFFFAOYSA-N

