
 CHEMBL99518

 45 46  0  0  0  0  0  0  0  0999 V2000
   -0.9286    0.8826   -0.4975 C   0  0  0  0  0
   -0.0769   -0.3750   -0.3567 C   0  0  0  0  0
    0.7175   -0.3707    0.9478 C   0  0  0  0  0
   -0.1698   -0.1732    2.1908 C   0  0  0  0  0
   -1.0313    1.0907    2.0223 C   0  0  0  0  0
   -1.8262    1.1046    0.7163 C   0  0  0  0  0
   -1.0445   -1.4020    2.5064 C   0  0  0  0  0
   -0.2124   -2.5825    2.7130 N   0  0  0  0  0
    0.2207   -2.9229    3.8778 C   0  0  0  0  0
    0.0186   -2.2652    5.0594 N   0  0  0  0  0
    0.9453   -2.2332    6.1810 C   0  0  0  0  0
    1.7040   -0.9072    6.1945 C   0  0  0  0  0
    2.7280   -0.8739    7.3294 C   0  0  0  0  0
    3.4297    0.4349    7.3922 C   0  0  0  0  0
    3.1531    1.5964    8.0817 C   0  0  0  0  0
    4.0969    2.5553    7.8238 N   0  0  0  0  0
    4.9472    1.9927    6.9974 C   0  0  0  0  0
    4.5865    0.7084    6.7044 N   0  0  0  0  0
    0.9780   -4.0580    3.9115 N   0  0  0  0  0
    0.4489   -5.1200    4.7469 C   0  0  0  0  0
    0.0697   -5.9913    5.4077 N   0  0  0  0  0
   -0.2713    1.7517   -0.6252 H   0  0  0  0  0
   -1.5420    0.8133   -1.4030 H   0  0  0  0  0
    0.6142   -0.4441   -1.2046 H   0  0  0  0  0
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    1.4496    0.4467    0.9078 H   0  0  0  0  0
    0.4962   -0.0108    3.0489 H   0  0  0  0  0
   -1.7166    1.1998    2.8710 H   0  0  0  0  0
   -0.3736    1.9696    2.0400 H   0  0  0  0  0
   -2.6037    0.3325    0.7435 H   0  0  0  0  0
   -2.3442    2.0652    0.6147 H   0  0  0  0  0
   -1.7238   -1.6201    1.6755 H   0  0  0  0  0
   -1.6986   -1.2033    3.3628 H   0  0  0  0  0
   -0.5404   -1.4235    4.9927 H   0  0  0  0  0
    1.6550   -3.0665    6.1556 H   0  0  0  0  0
    0.3667   -2.3348    7.1056 H   0  0  0  0  0
    0.9922   -0.0778    6.3043 H   0  0  0  0  0
    2.2073   -0.7545    5.2308 H   0  0  0  0  0
    3.4593   -1.6808    7.1956 H   0  0  0  0  0
    2.2271   -1.0592    8.2878 H   0  0  0  0  0
    2.3238    1.7935    8.7493 H   0  0  0  0  0
    5.8313    2.4581    6.5823 H   0  0  0  0  0
    5.0885    0.0801    6.0919 H   0  0  0  0  0
    1.0669   -4.3854    2.9555 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  9 19  1  0  0  0
  9 10  1  0  0  0
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 11 12  1  0  0  0
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 11 37  1  0  0  0
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 13 41  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 21  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL99518

>  <PubChem CID>
44330463

>  <Formula>
C15H24N6

>  <Molecular Weight>
288.399000

>  <IUPAC Name>
1-cyano-2-(cyclohexylmethyl)-3-[3-(1H-imidazol-5-yl)propyl]guanidine

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(CC1)CN=C(NCCCC2=CN=CN2)NC#N

>  <Isomeric SMILES>
C1CCC(CC1)CN=C(NCCCC2=CN=CN2)NC#N

>  <InChI Std. ID>
InChI=1S/C15H24N6/c16-11-20-15(19-9-13-5-2-1-3-6-13)18-8-4-7-14-10-17-12-21-14/h10,12-13H,1-9H2,(H,17,21)(H2,18,19,20)

>  <InChI Key>
BENZNUIXJBFMGY-UHFFFAOYSA-N

