
 CHEMBL336251

 64 66  0  0  0  0  0  0  0  0999 V2000
    4.2233    7.6655   -8.6356 C   0  0  0  0  0
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   13.3232    1.9969   -2.3673 F   0  0  0  0  0
   13.6605    1.9555   -4.5149 F   0  0  0  0  0
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    7.6267    6.9085    0.6568 C   0  0  0  0  0
    8.0108    8.0185    1.4117 C   0  0  0  0  0
    8.2264    9.2450    0.7890 C   0  0  0  0  0
    8.0562    9.3619   -0.5885 C   0  0  0  0  0
    7.6773    8.2505   -1.3455 C   0  0  0  0  0
    3.6588    7.6293   -9.5727 H   0  0  0  0  0
    5.2848    7.5429   -8.8730 H   0  0  0  0  0
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    3.8817    5.5974   -8.1707 H   0  0  0  0  0
    2.6729    6.7011   -7.5099 H   0  0  0  0  0
    4.3667    7.6013   -5.9100 H   0  0  0  0  0
    5.5772    6.4832   -6.5443 H   0  0  0  0  0
    4.1592    4.5472   -5.9107 H   0  0  0  0  0
    2.9258    5.6195   -5.2490 H   0  0  0  0  0
    3.5020    7.1461   -3.5303 H   0  0  0  0  0
    5.2222    7.4960   -3.7157 H   0  0  0  0  0
    4.9586    7.5622   -1.3874 H   0  0  0  0  0
    3.6941    6.3859   -1.4012 H   0  0  0  0  0
    5.9691    3.5421   -2.0949 H   0  0  0  0  0
    4.4649    3.7455   -1.2461 H   0  0  0  0  0
    4.5176    3.4096   -3.8776 H   0  0  0  0  0
    3.2648    4.3745   -3.0930 H   0  0  0  0  0
    7.5109    4.9266   -0.9807 H   0  0  0  0  0
    7.3801    6.5322   -3.5698 H   0  0  0  0  0
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   11.2152    3.2749   -3.8475 H   0  0  0  0  0
    7.4514    5.9599    1.1602 H   0  0  0  0  0
    8.1396    7.9241    2.4865 H   0  0  0  0  0
    8.5237   10.1091    1.3760 H   0  0  0  0  0
    8.2170   10.3200   -1.0750 H   0  0  0  0  0
    7.5440    8.3813   -2.4147 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 36  1  0  0  0
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  2 39  1  0  0  0
  3  4  1  0  0  0
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  5  6  1  0  0  0
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  6 44  1  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL336251

>  <PubChem CID>
44358317

>  <Formula>
C25H30F6N2O

>  <Molecular Weight>
488.518000

>  <IUPAC Name>
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-4-butylpiperazine

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCCCN1CCN(CC1)C(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

>  <Isomeric SMILES>
CCCCN1CCN(CC1)C(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C25H30F6N2O/c1-2-3-9-32-10-12-33(13-11-32)23(20-7-5-4-6-8-20)18-34-17-19-14-21(24(26,27)28)16-22(15-19)25(29,30)31/h4-8,14-16,23H,2-3,9-13,17-18H2,1H3

>  <InChI Key>
AHZURDXLPGFUJZ-UHFFFAOYSA-N

