
 SCHEMBL2193920

 36 38  0  0  0  0  0  0  0  0999 V2000
   -1.5308    0.9918   -0.4649 C   0  0  0  0  0
   -1.3755   -0.3627   -1.1432 C   0  0  0  0  0
   -0.7032   -1.4262   -0.2794 C   0  0  0  0  0
    0.8207   -1.3239   -0.2549 C   0  0  0  0  0
    1.4478   -0.1745    0.5599 C   0  0  0  0  0
    0.5276    0.9562    1.0418 C   0  0  0  0  0
   -0.2190    1.6674   -0.0845 C   0  0  0  0  0
    2.2887   -0.6641    1.6575 N   0  0  0  0  0
    3.6363   -0.4478    1.7840 C   0  0  0  0  0
    3.9999   -1.1169    2.9196 C   0  0  0  0  0
    5.3365   -1.1238    3.3695 C   0  0  0  0  0
    6.2771   -0.4611    2.6755 C   0  0  0  0  0
    5.9291    0.2833    1.4342 C   0  0  0  0  0
    6.7174    0.9075    0.7523 O   0  0  0  0  0
    4.5517    0.2511    1.0278 N   0  0  0  0  0
    2.9554   -1.7348    3.5098 N   0  0  0  0  0
    1.9244   -1.4483    2.7423 C   0  0  0  0  0
    0.6757   -1.8772    2.9623 N   0  0  0  0  0
   -2.0731    1.6554   -1.1501 H   0  0  0  0  0
   -2.1646    0.8874    0.4246 H   0  0  0  0  0
   -0.8392   -0.2474   -2.0928 H   0  0  0  0  0
   -2.3808   -0.7199   -1.4007 H   0  0  0  0  0
   -1.1238   -1.4293    0.7305 H   0  0  0  0  0
   -0.9530   -2.4030   -0.7141 H   0  0  0  0  0
    1.2201   -2.2887    0.0846 H   0  0  0  0  0
    1.1699   -1.2341   -1.2931 H   0  0  0  0  0
    2.1626    0.2994   -0.1281 H   0  0  0  0  0
   -0.1793    0.6086    1.8027 H   0  0  0  0  0
    1.1532    1.7057    1.5470 H   0  0  0  0  0
   -0.4617    2.6807    0.2603 H   0  0  0  0  0
    0.4227    1.7863   -0.9654 H   0  0  0  0  0
    5.5825   -1.6697    4.2746 H   0  0  0  0  0
    7.3161   -0.4361    2.9779 H   0  0  0  0  0
    4.3039    0.7513    0.1863 H   0  0  0  0  0
    0.5278   -2.3419    3.8566 H   0  0  0  0  0
   -0.1392   -1.3547    2.6681 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  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 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2193920

>  <PubChem CID>
58345634

>  <Formula>
C13H18N4O

>  <Molecular Weight>
246.314000

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

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCCC(CC1)N2C3=C(C=CC(=O)N3)N=C2N

>  <Isomeric SMILES>
C1CCCC(CC1)N2C3=C(C=CC(=O)N3)N=C2N

>  <InChI Std. ID>
InChI=1S/C13H18N4O/c14-13-15-10-7-8-11(18)16-12(10)17(13)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,14,15)(H,16,18)

>  <InChI Key>
GYUCVRSZLHCHSI-UHFFFAOYSA-N

