
 CHEMBL134404

 63 66  0  0  0  0  0  0  0  0999 V2000
   -0.2034    4.0703    5.3084 C   0  0  0  0  0
   -1.1843    4.2912    4.1631 C   0  0  0  0  0
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    0.3496    2.6493    5.3037 C   0  0  0  0  0
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   -2.2044    1.6859    1.6598 C   0  0  0  0  0
   -3.5484    1.7531    2.0608 C   0  0  0  0  0
   -4.5561    2.0330    1.1333 C   0  0  0  0  0
   -4.2361    2.2458   -0.2051 C   0  0  0  0  0
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   -0.4523    0.0397    2.3924 C   0  0  0  0  0
   -0.0074   -0.2986    1.3029 O   0  0  0  0  0
   -0.3962   -0.7203    3.5241 O   0  0  0  0  0
    0.2055   -2.0137    3.3666 C   0  0  0  0  0
    1.5758   -1.9591    3.9343 C   0  0  0  0  0
    2.0725   -1.9937    5.2208 C   0  0  0  0  0
    3.4835   -1.9741    5.1065 C   0  0  0  0  0
    3.7682   -1.8990    3.7581 C   0  0  0  0  0
    2.6055   -1.8950    3.0420 O   0  0  0  0  0
    5.0309   -1.8435    2.9606 C   0  0  0  0  0
    6.1321   -1.1197    3.6303 N   0  0  0  0  0
    7.3955   -1.2657    2.8890 C   0  0  0  0  0
    7.4651   -0.4551    1.5904 C   0  0  0  0  0
    7.1074    1.0132    1.8075 C   0  0  0  0  0
    5.8257    1.1706    2.6197 C   0  0  0  0  0
    5.8390    0.3008    3.8768 C   0  0  0  0  0
    8.1872    1.6957    2.4455 O   0  0  0  0  0
    0.6256    4.7833    5.2189 H   0  0  0  0  0
   -0.6966    4.2758    6.2648 H   0  0  0  0  0
   -1.5030    5.3399    4.1539 H   0  0  0  0  0
   -2.0850    3.6876    4.3240 H   0  0  0  0  0
   -1.2656    4.1374    2.0153 H   0  0  0  0  0
    0.2857    4.6326    2.6414 H   0  0  0  0  0
    0.6004    2.4209    1.8457 H   0  0  0  0  0
    1.8473    2.9164    3.7925 H   0  0  0  0  0
    1.3327    1.2571    3.9812 H   0  0  0  0  0
   -0.4496    1.9434    5.5585 H   0  0  0  0  0
    1.1118    2.5544    6.0859 H   0  0  0  0  0
   -1.5986    1.3178    3.6682 H   0  0  0  0  0
   -3.8253    1.5951    3.1005 H   0  0  0  0  0
   -5.5928    2.0858    1.4568 H   0  0  0  0  0
   -5.0201    2.4625   -0.9256 H   0  0  0  0  0
   -2.6555    2.3368   -1.6651 H   0  0  0  0  0
   -0.8726    1.8419   -0.0468 H   0  0  0  0  0
    0.2093   -2.3651    2.3292 H   0  0  0  0  0
   -0.4013   -2.7236    3.9384 H   0  0  0  0  0
    1.4876   -2.0431    6.1284 H   0  0  0  0  0
    4.2152   -1.9984    5.9025 H   0  0  0  0  0
    4.8179   -1.4239    1.9707 H   0  0  0  0  0
    5.3399   -2.8850    2.7995 H   0  0  0  0  0
    7.5886   -2.3235    2.6709 H   0  0  0  0  0
    8.2175   -0.9579    3.5478 H   0  0  0  0  0
    8.4792   -0.5344    1.1802 H   0  0  0  0  0
    6.7822   -0.8891    0.8503 H   0  0  0  0  0
    6.9772    1.4996    0.8347 H   0  0  0  0  0
    5.6999    2.2174    2.9198 H   0  0  0  0  0
    4.9624    0.9049    1.9984 H   0  0  0  0  0
    6.5978    0.6846    4.5712 H   0  0  0  0  0
    4.8918    0.4256    4.4131 H   0  0  0  0  0
    8.3398    1.2954    3.3177 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7 14  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
 10 11  2  0  0  0
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 11 12  1  0  0  0
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 21 23  1  0  0  0
 23 24  1  0  0  0
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 24 29  1  0  0  0
 24 25  1  0  0  0
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 25 55  1  0  0  0
 26 27  1  0  0  0
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 27 28  1  0  0  0
 27 30  1  0  0  0
 27 58  1  0  0  0
 28 29  1  0  0  0
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 29 61  1  0  0  0
 29 62  1  0  0  0
 30 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL134404

>  <PubChem CID>
10386935

>  <Formula>
C25H33NO4

>  <Molecular Weight>
411.542000

>  <IUPAC Name>
[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(CC1)C(C2=CC=CC=C2)C(=O)OCC3=CC=C(O3)CN4CCC(CC4)O

>  <Isomeric SMILES>
C1CCC(CC1)C(C2=CC=CC=C2)C(=O)OCC3=CC=C(O3)CN4CCC(CC4)O

>  <InChI Std. ID>
InChI=1S/C25H33NO4/c27-21-13-15-26(16-14-21)17-22-11-12-23(30-22)18-29-25(28)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1,3-4,7-8,11-12,20-21,24,27H,2,5-6,9-10,13-18H2

>  <InChI Key>
DDNBSKGLMXNTLR-UHFFFAOYSA-N

