
 SCHEMBL2194452

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.0786    0.0279   -1.0362 C   0  0  0  0  0
    3.7517   -0.3738   -0.6006 S   0  0  0  0  0
    3.7452   -0.9674    0.7223 O   0  0  0  0  0
    4.3677   -1.0432   -1.7276 O   0  0  0  0  0
    4.3075    1.1466   -0.5053 O   0  0  0  0  0
    5.6155    1.4213   -0.2162 C   0  0  0  0  0
    5.8891    2.7526   -0.2797 N   0  0  0  0  0
    7.1548    3.0847    0.0019 C   0  0  0  0  0
    8.1517    2.1778    0.3410 C   0  0  0  0  0
    7.8892    0.8364    0.4104 C   0  0  0  0  0
    6.5775    0.4508    0.1225 C   0  0  0  0  0
    9.3348    2.8643    0.5611 N   0  0  0  0  0
    9.0970    4.2307    0.3551 C   0  0  0  0  0
    9.9396    5.1060    0.4573 O   0  0  0  0  0
    7.7367    4.3600    0.0153 N   0  0  0  0  0
    7.0320    5.5850   -0.3155 C   0  0  0  0  0
    7.5992    6.2235   -1.5941 C   0  0  0  0  0
    6.9085    7.5428   -1.9300 C   0  0  0  0  0
    6.9587    8.5160   -0.7568 C   0  0  0  0  0
    6.3671    7.8961    0.5051 C   0  0  0  0  0
    7.0542    6.5791    0.8579 C   0  0  0  0  0
    2.0809    0.5867   -1.9737 H   0  0  0  0  0
    1.6347    0.6166   -0.2315 H   0  0  0  0  0
    1.5286   -0.9075   -1.1609 H   0  0  0  0  0
    8.6479    0.1094    0.6721 H   0  0  0  0  0
    6.3385   -0.6072    0.1727 H   0  0  0  0  0
   10.2331    2.4863    0.8142 H   0  0  0  0  0
    5.9813    5.3312   -0.5098 H   0  0  0  0  0
    7.4890    5.5289   -2.4359 H   0  0  0  0  0
    8.6751    6.4069   -1.4847 H   0  0  0  0  0
    7.3882    7.9963   -2.8049 H   0  0  0  0  0
    5.8636    7.3505   -2.2019 H   0  0  0  0  0
    7.9993    8.8082   -0.5679 H   0  0  0  0  0
    6.4114    9.4305   -1.0112 H   0  0  0  0  0
    6.4668    8.5980    1.3409 H   0  0  0  0  0
    5.2940    7.7223    0.3595 H   0  0  0  0  0
    8.0864    6.7930    1.1604 H   0  0  0  0  0
    6.5632    6.1330    1.7314 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  5  1  0  0  0
  2  4  2  0  0  0
  2  3  2  0  0  0
  5  6  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8 15  1  0  0  0
  8  9  2  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 25  1  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 16 28  1  0  0  0
 17 18  1  0  0  0
 17 29  1  0  0  0
 17 30  1  0  0  0
 18 19  1  0  0  0
 18 31  1  0  0  0
 18 32  1  0  0  0
 19 20  1  0  0  0
 19 33  1  0  0  0
 19 34  1  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 20 36  1  0  0  0
 21 37  1  0  0  0
 21 38  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2194452

>  <PubChem CID>
86655261

>  <Formula>
C13H17N3O4S

>  <Molecular Weight>
311.356000

>  <IUPAC Name>
(3-cyclohexyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl) methanesulfonate

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CS(=O)(=O)OC1=NC2=C(C=C1)NC(=O)N2C3CCCCC3

>  <Isomeric SMILES>
CS(=O)(=O)OC1=NC2=C(C=C1)NC(=O)N2C3CCCCC3

>  <InChI Std. ID>
InChI=1S/C13H17N3O4S/c1-21(18,19)20-11-8-7-10-12(15-11)16(13(17)14-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,14,17)

>  <InChI Key>
FBRFLFBYZFOUCO-UHFFFAOYSA-N

