
 CHEMBL324518

 66 70  0  0  0  0  0  0  0  0999 V2000
   -1.7156    1.2444   -0.5419 C   0  0  0  0  0
   -2.0064   -0.2322   -0.8249 C   0  0  0  0  0
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   -1.6411    0.0606    1.4364 N   0  0  0  0  0
   -1.1511   -0.3229    2.7665 C   0  0  0  0  0
   -1.4713    0.7219    3.8552 C   0  0  0  0  0
   -0.9486    0.2885    5.1554 N   0  0  0  0  0
   -1.2591    1.2660    6.1949 C   0  0  0  0  0
   -0.6983    0.8276    7.5256 C   0  0  0  0  0
    0.6173    1.1559    7.8833 C   0  0  0  0  0
    1.1405    0.7503    9.1120 C   0  0  0  0  0
    0.3589    0.0014    9.9897 C   0  0  0  0  0
   -0.9438   -0.3476    9.6372 C   0  0  0  0  0
   -1.4698    0.0601    8.4099 C   0  0  0  0  0
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    2.9170   -1.5568   -0.3392 C   0  0  0  0  0
    3.1379   -1.3883   -1.8361 C   0  0  0  0  0
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    3.5289    0.0050   -3.7916 C   0  0  0  0  0
    3.4244   -1.1167   -4.6046 C   0  0  0  0  0
    3.1998   -2.3738   -4.0622 C   0  0  0  0  0
    3.0556   -2.5113   -2.6801 C   0  0  0  0  0
    3.5361   -0.9838   -5.9326 F   0  0  0  0  0
    4.1998   -1.8760    0.4248 C   0  0  0  0  0
    4.6409   -3.2108    0.5169 C   0  0  0  0  0
    5.7912   -3.5347    1.2396 C   0  0  0  0  0
    6.5073   -2.5279    1.8715 C   0  0  0  0  0
    6.1015   -1.2022    1.7889 C   0  0  0  0  0
    4.9534   -0.8747    1.0615 C   0  0  0  0  0
    7.6040   -2.8417    2.5752 F   0  0  0  0  0
   -1.1073    1.7007   -1.3297 H   0  0  0  0  0
   -2.6625    1.7965   -0.4926 H   0  0  0  0  0
   -1.5449   -0.5667   -1.7599 H   0  0  0  0  0
   -3.0897   -0.3765   -0.9197 H   0  0  0  0  0
   -2.0768   -1.8608    0.6132 H   0  0  0  0  0
    0.3641   -1.9084    1.1128 H   0  0  0  0  0
    0.0752   -2.0904   -0.5979 H   0  0  0  0  0
    0.8563    0.0507   -1.1493 H   0  0  0  0  0
    0.9746    1.1167    1.6743 H   0  0  0  0  0
    0.9113    1.9717    0.1628 H   0  0  0  0  0
   -1.2641    2.1674    1.3648 H   0  0  0  0  0
   -0.0737   -0.5217    2.7759 H   0  0  0  0  0
   -1.6400   -1.2644    3.0507 H   0  0  0  0  0
   -2.5571    0.8666    3.9100 H   0  0  0  0  0
   -1.0110    1.6806    3.5922 H   0  0  0  0  0
   -1.3563   -0.6091    5.4133 H   0  0  0  0  0
   -2.3438    1.4045    6.2867 H   0  0  0  0  0
   -0.8365    2.2459    5.9389 H   0  0  0  0  0
    1.2409    1.7270    7.1987 H   0  0  0  0  0
    2.1597    1.0147    9.3809 H   0  0  0  0  0
    0.7678   -0.3156   10.9454 H   0  0  0  0  0
   -1.5501   -0.9394   10.3177 H   0  0  0  0  0
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    2.2529   -2.4132   -0.1769 H   0  0  0  0  0
    3.4783    0.7513   -1.7758 H   0  0  0  0  0
    3.7021    0.9780   -4.2396 H   0  0  0  0  0
    3.1306   -3.2384   -4.7148 H   0  0  0  0  0
    2.8702   -3.4998   -2.2659 H   0  0  0  0  0
    4.0823   -4.0098    0.0359 H   0  0  0  0  0
    6.1259   -4.5641    1.3182 H   0  0  0  0  0
    6.6739   -0.4329    2.2966 H   0  0  0  0  0
    4.6349    0.1645    1.0144 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 46  1  0  0  0
  9 47  1  0  0  0
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 20 21  1  0  0  0
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 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
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 24 27  1  0  0  0
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 28 33  1  0  0  0
 29 30  1  0  0  0
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 30 31  2  0  0  0
 30 64  1  0  0  0
 31 32  1  0  0  0
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 32 33  2  0  0  0
 32 65  1  0  0  0
 33 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL324518

>  <PubChem CID>
44341939

>  <Formula>
C29H32F2N2O

>  <Molecular Weight>
462.585000

>  <IUPAC Name>
N-benzyl-2-[3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2CC(CC1N2CCNCC3=CC=CC=C3)OC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
C1CC2CC(CC1N2CCNCC3=CC=CC=C3)OC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C29H32F2N2O/c30-24-10-6-22(7-11-24)29(23-8-12-25(31)13-9-23)34-28-18-26-14-15-27(19-28)33(26)17-16-32-20-21-4-2-1-3-5-21/h1-13,26-29,32H,14-20H2

>  <InChI Key>
AKCFGSWTIGIRNF-UHFFFAOYSA-N

