
 CHEMBL3342874

 68 72  0  0  0  0  0  0  0  0999 V2000
    4.1058    2.9510    1.8759 C   0  0  0  0  0
    4.5074    2.3025    0.6768 O   0  0  0  0  0
    5.8209    2.4668    0.3022 C   0  0  0  0  0
    6.5938    3.5675    0.7074 C   0  0  0  0  0
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    5.5952    0.3763   -0.9937 N   0  0  0  0  0
    5.4071   -0.5953    0.1097 C   0  0  0  0  0
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    7.0929   -3.7471   -2.5860 C   0  0  0  0  0
    6.4588   -5.0597   -2.9765 C   0  0  0  0  0
    7.5141   -5.8086   -3.5951 O   0  0  0  0  0
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    8.4390   -4.1224   -2.2715 O   0  0  0  0  0
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    9.8739   -5.7014   -5.3641 C   0  0  0  0  0
   10.8025   -6.5976   -4.6665 N   0  0  0  0  0
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   12.4987   -8.1344   -4.6596 O   0  0  0  0  0
   12.3851   -6.6200   -6.3914 N   0  0  0  0  0
   13.4460   -7.0312   -7.2253 C   0  0  0  0  0
   14.2562   -8.1407   -6.9830 C   0  0  0  0  0
   15.2931   -8.4654   -7.8650 C   0  0  0  0  0
   15.5206   -7.6920   -9.0020 C   0  0  0  0  0
   14.7101   -6.5908   -9.2596 C   0  0  0  0  0
   13.6815   -6.2610   -8.3739 C   0  0  0  0  0
    3.9637    4.0240    1.7090 H   0  0  0  0  0
    4.8147    2.7693    2.6924 H   0  0  0  0  0
    3.1406    2.5310    2.1772 H   0  0  0  0  0
    6.1821    4.3460    1.3428 H   0  0  0  0  0
    8.5044    4.5581    0.6078 H   0  0  0  0  0
    9.5058    2.8446   -0.8765 H   0  0  0  0  0
    8.2016    0.9374   -1.6122 H   0  0  0  0  0
    4.8497   -0.1431    0.9372 H   0  0  0  0  0
    6.3812   -0.9006    0.5101 H   0  0  0  0  0
    4.6125   -2.5906    0.4726 H   0  0  0  0  0
    3.5647   -1.5740   -0.4847 H   0  0  0  0  0
    5.3456   -1.8451   -3.6064 H   0  0  0  0  0
    4.0156   -1.1136   -2.7589 H   0  0  0  0  0
    6.9748   -0.5085   -2.3708 H   0  0  0  0  0
    5.7590    0.5567   -3.0888 H   0  0  0  0  0
    6.3964   -3.7880   -0.5645 H   0  0  0  0  0
    7.1548   -2.2966   -1.0228 H   0  0  0  0  0
    7.1537   -3.0687   -3.4427 H   0  0  0  0  0
    6.1096   -5.6336   -2.1105 H   0  0  0  0  0
    5.6273   -4.9355   -3.6789 H   0  0  0  0  0
    8.7124   -3.9429   -4.9791 H   0  0  0  0  0
   10.2584   -3.9625   -4.1393 H   0  0  0  0  0
    9.0296   -6.3116   -5.7091 H   0  0  0  0  0
   10.3016   -5.2471   -6.2572 H   0  0  0  0  0
   10.9906   -7.8034   -2.9329 H   0  0  0  0  0
    9.4511   -7.9050   -3.7856 H   0  0  0  0  0
    9.1408   -6.6828   -1.6853 H   0  0  0  0  0
   10.4992   -5.6243   -2.0312 H   0  0  0  0  0
   11.9803   -5.7391   -6.6468 H   0  0  0  0  0
   14.1146   -8.7715   -6.1114 H   0  0  0  0  0
   15.9235   -9.3266   -7.6577 H   0  0  0  0  0
   16.3256   -7.9507   -9.6838 H   0  0  0  0  0
   14.8774   -5.9888  -10.1484 H   0  0  0  0  0
   13.0612   -5.3992   -8.6021 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  5  6  2  0  0  0
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 31 32  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3342874

>  <PubChem CID>
118716721

>  <Formula>
C26H34N4O4

>  <Molecular Weight>
466.582000

>  <IUPAC Name>
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3COC4(O3)CCN(CC4)C(=O)NC5=CC=CC=C5

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3COC4(O3)CCN(CC4)C(=O)NC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C26H34N4O4/c1-32-24-10-6-5-9-23(24)29-17-15-28(16-18-29)19-22-20-33-26(34-22)11-13-30(14-12-26)25(31)27-21-7-3-2-4-8-21/h2-10,22H,11-20H2,1H3,(H,27,31)

>  <InChI Key>
FNKLENUNYYYGFY-UHFFFAOYSA-N

