
 CHEMBL3983633

 54 57  0  0  0  0  0  0  0  0999 V2000
   -1.4479   11.4583   -1.6825 C   0  0  0  0  0
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    1.1598   10.5295   -1.0082 C   0  0  0  0  0
    3.5042    7.6919   -0.4261 N   0  0  0  0  0
    3.0625    6.4368   -0.1099 C   0  0  0  0  0
    1.6814    6.4638   -0.0324 C   0  0  0  0  0
    0.7806    5.2946    0.2398 C   0  0  0  0  0
    0.6249    4.4809   -0.9855 N   0  0  0  0  0
   -0.2020    5.1782   -1.9842 C   0  0  0  0  0
   -0.2668    4.3760   -3.2703 C   0  0  0  0  0
   -0.8007    2.9907   -2.9986 C   0  0  0  0  0
   -0.0474    2.2620   -1.8910 C   0  0  0  0  0
    0.0357    3.1734   -0.6540 C   0  0  0  0  0
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   -1.3976   -1.3998   -2.1833 C   0  0  0  0  0
   -2.7880   -1.5720   -2.2387 C   0  0  0  0  0
   -3.3702   -2.7688   -1.8206 C   0  0  0  0  0
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   -0.6017   -2.4405   -1.6897 C   0  0  0  0  0
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   -2.1182    3.0807   -2.6720 F   0  0  0  0  0
   -2.5211   11.6584   -1.7626 H   0  0  0  0  0
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   -0.9724   12.3601   -1.2845 H   0  0  0  0  0
   -0.8790    7.9461   -0.1507 H   0  0  0  0  0
    3.3219   10.4546   -1.1283 H   0  0  0  0  0
    1.1394   11.5807   -1.2777 H   0  0  0  0  0
    4.4710    7.9501   -0.5647 H   0  0  0  0  0
    3.7595    5.6182    0.0102 H   0  0  0  0  0
   -0.1902    5.6218    0.6319 H   0  0  0  0  0
    1.2543    4.6953    1.0288 H   0  0  0  0  0
    0.2279    6.1496   -2.2453 H   0  0  0  0  0
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    0.7259    4.3114   -3.7328 H   0  0  0  0  0
    0.9710    2.0490   -2.2442 H   0  0  0  0  0
   -0.9587    3.3011   -0.2043 H   0  0  0  0  0
    0.6646    2.6734    0.0942 H   0  0  0  0  0
   -1.7127    1.1063   -1.1067 H   0  0  0  0  0
   -0.1336    0.4826   -0.6666 H   0  0  0  0  0
    0.2244   -0.2906   -3.0420 H   0  0  0  0  0
   -1.3782    0.2805   -3.4692 H   0  0  0  0  0
   -3.4243   -0.7731   -2.6144 H   0  0  0  0  0
   -4.4482   -2.8945   -1.8739 H   0  0  0  0  0
   -3.0225   -4.7348   -1.0154 H   0  0  0  0  0
   -0.5622   -4.4431   -0.8950 H   0  0  0  0  0
    0.4781   -2.3271   -1.6331 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5 11  1  0  0  0
  5  6  2  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3983633

>  <PubChem CID>
134157844

>  <Formula>
C23H26F2N2O

>  <Molecular Weight>
384.471000

>  <IUPAC Name>
3-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-5-methoxy-1H-indole

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC2=C(C=C1)NC=C2CN3CCC(C(C3)CCC4=CC=CC=C4)(F)F

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)NC=C2CN3CCC(C(C3)CCC4=CC=CC=C4)(F)F

>  <InChI Std. ID>
InChI=1S/C23H26F2N2O/c1-28-20-9-10-22-21(13-20)18(14-26-22)15-27-12-11-23(24,25)19(16-27)8-7-17-5-3-2-4-6-17/h2-6,9-10,13-14,19,26H,7-8,11-12,15-16H2,1H3

>  <InChI Key>
CPPWMLIFLIDLJX-UHFFFAOYSA-N

