
 CHEMBL143156

 67 70  0  0  0  0  0  0  0  0999 V2000
    0.1500    3.2118   -0.4600 C   0  0  0  0  0
   -0.3111    1.7824   -0.7151 C   0  0  0  0  0
    0.8688    0.9134   -0.3128 C   0  0  0  0  0
    2.0218    1.7824   -0.5821 N   0  0  0  0  0
    1.6200    3.0987   -0.0783 C   0  0  0  0  0
    3.2425    1.3002    0.0909 C   0  0  0  0  0
    3.6804   -0.0688   -0.4562 C   0  0  0  0  0
    3.3868   -1.0921    0.1727 O   0  0  0  0  0
    4.3898   -0.1244   -1.6622 N   0  0  0  0  0
    4.9739   -1.4137   -2.0078 C   0  0  0  0  0
    5.3054   -1.5747   -3.4935 C   0  0  0  0  0
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    5.0154    1.0532   -2.2552 C   0  0  0  0  0
    6.0077   -0.5239   -5.6728 C   0  0  0  0  0
    6.6425   -1.7294   -6.1094 O   0  0  0  0  0
    6.6388   -1.8204   -7.5314 C   0  0  0  0  0
    7.3892   -3.0573   -7.9509 C   0  0  0  0  0
    8.7613   -2.9944   -8.2332 C   0  0  0  0  0
    9.4691   -4.1355   -8.6411 C   0  0  0  0  0
    8.7835   -5.3572   -8.7501 C   0  0  0  0  0
    7.4145   -5.4480   -8.4522 C   0  0  0  0  0
    6.7299   -4.2902   -8.0488 C   0  0  0  0  0
    6.6725   -6.7589   -8.5613 C   0  0  0  0  0
    6.1225   -7.1492   -7.3790 F   0  0  0  0  0
    5.6435   -6.6987   -9.4517 F   0  0  0  0  0
    7.4570   -7.7951   -8.9693 F   0  0  0  0  0
   10.9432   -4.0662   -8.9633 C   0  0  0  0  0
   11.6904   -4.8772   -8.1651 F   0  0  0  0  0
   11.2098   -4.4531  -10.2423 F   0  0  0  0  0
   11.4749   -2.8189   -8.8350 F   0  0  0  0  0
    7.5330   -0.1996   -3.6813 C   0  0  0  0  0
    8.1952   -1.1173   -2.8494 C   0  0  0  0  0
    9.5182   -0.9118   -2.4403 C   0  0  0  0  0
   10.2252    0.2001   -2.8816 C   0  0  0  0  0
    9.6107    1.1049   -3.7379 C   0  0  0  0  0
    8.2831    0.9084   -4.1291 C   0  0  0  0  0
    0.0181    3.8159   -1.3642 H   0  0  0  0  0
   -0.4286    3.6793    0.3428 H   0  0  0  0  0
   -0.5394    1.6522   -1.7800 H   0  0  0  0  0
   -1.2123    1.5356   -0.1462 H   0  0  0  0  0
    0.7922    0.6562    0.7516 H   0  0  0  0  0
    0.8948   -0.0114   -0.8978 H   0  0  0  0  0
    1.7173    3.1645    1.0129 H   0  0  0  0  0
    2.2133    3.9023   -0.5258 H   0  0  0  0  0
    3.0840    1.1891    1.1722 H   0  0  0  0  0
    4.0625    2.0182   -0.0141 H   0  0  0  0  0
    4.2839   -2.2174   -1.7221 H   0  0  0  0  0
    5.8620   -1.5371   -1.3798 H   0  0  0  0  0
    5.8474   -2.5154   -3.6497 H   0  0  0  0  0
    4.3484   -1.6968   -4.0212 H   0  0  0  0  0
    5.6943    1.8107   -4.1483 H   0  0  0  0  0
    4.2468    0.8310   -4.2339 H   0  0  0  0  0
    5.9606    1.2274   -1.7283 H   0  0  0  0  0
    4.3893    1.9348   -2.1008 H   0  0  0  0  0
    6.4817    0.3333   -6.1666 H   0  0  0  0  0
    4.9622   -0.5521   -6.0076 H   0  0  0  0  0
    7.1131   -0.9335   -7.9699 H   0  0  0  0  0
    5.6069   -1.8645   -7.9007 H   0  0  0  0  0
    9.2842   -2.0428   -8.1326 H   0  0  0  0  0
    9.3284   -6.2482   -9.0670 H   0  0  0  0  0
    5.6684   -4.3519   -7.8069 H   0  0  0  0  0
    7.7100   -2.0226   -2.4983 H   0  0  0  0  0
    9.9962   -1.6311   -1.7794 H   0  0  0  0  0
   11.2542    0.3531   -2.5685 H   0  0  0  0  0
   10.1639    1.9652   -4.1053 H   0  0  0  0  0
    7.8463    1.6407   -4.8043 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2 40  1  0  0  0
  2 41  1  0  0  0
  3  4  1  0  0  0
  3 42  1  0  0  0
  3 43  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 44  1  0  0  0
  5 45  1  0  0  0
  6  7  1  0  0  0
  6 46  1  0  0  0
  6 47  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 48  1  0  0  0
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 18 23  1  0  0  0
 18 19  2  0  0  0
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 20 28  1  0  0  0
 21 22  1  0  0  0
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 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 28 31  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 32 33  2  0  0  0
 32 37  1  0  0  0
 33 34  1  0  0  0
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 34 35  2  0  0  0
 34 64  1  0  0  0
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 35 65  1  0  0  0
 36 37  2  0  0  0
 36 66  1  0  0  0
 37 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL143156

>  <PubChem CID>
10101238

>  <Formula>
C27H30F6N2O2

>  <Molecular Weight>
528.539000

>  <IUPAC Name>
1-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylethanone

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CCN(C1)CC(=O)N2CCC(CC2)(COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CCN(C1)CC(=O)N2CCC(CC2)(COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H30F6N2O2/c28-26(29,30)22-14-20(15-23(16-22)27(31,32)33)18-37-19-25(21-6-2-1-3-7-21)8-12-35(13-9-25)24(36)17-34-10-4-5-11-34/h1-3,6-7,14-16H,4-5,8-13,17-19H2

>  <InChI Key>
ABRLODMDKOBAGA-UHFFFAOYSA-N

