
 SCHEMBL2192711

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.6410    0.7132   -1.4325 C   0  0  0  0  0
   -0.6646    1.1577   -0.7926 C   0  0  0  0  0
   -1.3480    0.0458   -0.0004 C   0  0  0  0  0
   -0.4333   -0.8662    0.8410 C   0  0  0  0  0
    1.0018   -1.0545    0.3207 C   0  0  0  0  0
    1.5985    0.1498   -0.3944 C   0  0  0  0  0
   -0.5082   -0.6758    2.2885 N   0  0  0  0  0
   -0.8585   -1.6649    3.1819 C   0  0  0  0  0
   -0.7957   -1.0824    4.4188 C   0  0  0  0  0
   -1.0900   -1.8110    5.5900 C   0  0  0  0  0
   -1.4371   -3.1061    5.5015 C   0  0  0  0  0
   -1.5166   -3.7864    4.1812 C   0  0  0  0  0
   -1.8182   -4.9517    4.0131 O   0  0  0  0  0
   -1.2083   -2.9898    3.0252 N   0  0  0  0  0
   -0.4168    0.2091    4.3605 N   0  0  0  0  0
   -0.2429    0.4230    3.0726 C   0  0  0  0  0
    0.2794    1.9109    2.4492 Cl  0  0  0  0  0
    0.4384   -0.0433   -2.2005 H   0  0  0  0  0
    1.1087    1.5649   -1.9395 H   0  0  0  0  0
   -1.3482    1.5112   -1.5743 H   0  0  0  0  0
   -0.4798    2.0243   -0.1532 H   0  0  0  0  0
   -2.1544    0.4697    0.6105 H   0  0  0  0  0
   -1.8492   -0.5953   -0.7399 H   0  0  0  0  0
   -0.8913   -1.8586    0.7150 H   0  0  0  0  0
    1.6755   -1.3755    1.1246 H   0  0  0  0  0
    0.9863   -1.8822   -0.4024 H   0  0  0  0  0
    1.8709    0.9255    0.3269 H   0  0  0  0  0
    2.5310   -0.1512   -0.8865 H   0  0  0  0  0
   -1.0283   -1.3093    6.5508 H   0  0  0  0  0
   -1.6703   -3.7086    6.3699 H   0  0  0  0  0
   -1.2580   -3.4492    2.1265 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  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  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6 27  1  0  0  0
  6 28  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 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2192711

>  <PubChem CID>
58345644

>  <Formula>
C12H14ClN3O

>  <Molecular Weight>
251.714000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCC(CC1)N2C3=C(C=CC(=O)N3)N=C2Cl

>  <Isomeric SMILES>
C1CCC(CC1)N2C3=C(C=CC(=O)N3)N=C2Cl

>  <InChI Std. ID>
InChI=1S/C12H14ClN3O/c13-12-14-9-6-7-10(17)15-11(9)16(12)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,17)

>  <InChI Key>
FTMNFQMNRIXFIQ-UHFFFAOYSA-N

