
 CHEMBL337227

 62 65  0  0  0  0  0  0  0  0999 V2000
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    2.0030   -1.3004    7.7654 C   0  0  0  0  0
    3.4377   -1.3675    8.1059 N   0  0  0  0  0
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    4.3664    0.1656    6.3304 C   0  0  0  0  0
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    0.9922    1.1359   -1.7389 H   0  0  0  0  0
    0.5804    1.0219   -0.0338 H   0  0  0  0  0
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    0.4448   -1.2121   -2.1136 H   0  0  0  0  0
   -0.4478   -2.6869   -0.4944 H   0  0  0  0  0
    1.5706   -2.9428    1.0440 H   0  0  0  0  0
    1.9236   -2.7371   -0.6574 H   0  0  0  0  0
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    3.4602   -1.3893    0.6802 H   0  0  0  0  0
   -0.1433   -0.5994    1.7257 H   0  0  0  0  0
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   -3.7782    2.0873    0.4756 H   0  0  0  0  0
   -5.6932    0.5327    0.2204 H   0  0  0  0  0
   -5.3347   -1.9125    0.4223 H   0  0  0  0  0
   -3.0918   -2.8128    0.8376 H   0  0  0  0  0
   -1.2540   -4.1338    4.0597 H   0  0  0  0  0
   -1.8943   -2.8271    5.0548 H   0  0  0  0  0
    1.0641   -5.2259    5.2475 H   0  0  0  0  0
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    4.7726   -0.6098    9.5318 H   0  0  0  0  0
    3.0955   -0.4307    9.9776 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7 14  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
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 24 25  1  0  0  0
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 29 61  1  0  0  0
 29 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL337227

>  <PubChem CID>
10250110

>  <Formula>
C25H33NO3

>  <Molecular Weight>
395.543000

>  <IUPAC Name>
[5-(piperidin-1-ylmethyl)furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)C(C2=CC=CC=C2)C(=O)OCC3=CC=C(O3)CN4CCCCC4

>  <Isomeric SMILES>
C1CCC(CC1)C(C2=CC=CC=C2)C(=O)OCC3=CC=C(O3)CN4CCCCC4

>  <InChI Std. ID>
InChI=1S/C25H33NO3/c27-25(24(20-10-4-1-5-11-20)21-12-6-2-7-13-21)28-19-23-15-14-22(29-23)18-26-16-8-3-9-17-26/h1,4-5,10-11,14-15,21,24H,2-3,6-9,12-13,16-19H2

>  <InChI Key>
GRIAMMQHAXJVNB-UHFFFAOYSA-N

