
 CHEMBL388380

 68 72  0  0  0  0  0  0  0  0999 V2000
    2.5498    1.1652    2.0077 C   0  0  0  0  0
    3.6799    1.0494    0.9725 C   0  0  0  0  0
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    7.5589   -3.6291    2.2000 C   0  0  0  0  0
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   -3.5733    2.5299   -2.6688 F   0  0  0  0  0
   -4.3433    0.5083   -2.8869 F   0  0  0  0  0
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    0.9208   -2.2238   -5.2719 F   0  0  0  0  0
    2.8225    0.6805    2.9519 H   0  0  0  0  0
    1.6240    0.6972    1.6564 H   0  0  0  0  0
    2.3238    2.2164    2.2206 H   0  0  0  0  0
    4.8697    1.8529    2.6338 H   0  0  0  0  0
    5.3259    2.5603    1.0928 H   0  0  0  0  0
    6.5090    0.6186    0.4139 H   0  0  0  0  0
    6.8290    0.6354    2.1583 H   0  0  0  0  0
    4.9056   -0.8812    2.5716 H   0  0  0  0  0
    4.2601   -0.5595   -0.3947 H   0  0  0  0  0
    3.1715   -1.0927    0.8926 H   0  0  0  0  0
    7.0320   -1.7213    2.9685 H   0  0  0  0  0
    8.0321   -1.6289    1.5312 H   0  0  0  0  0
    6.9248   -4.0168    3.0109 H   0  0  0  0  0
    8.5895   -3.6806    2.5761 H   0  0  0  0  0
    5.4041   -5.1583    0.2387 H   0  0  0  0  0
    6.1570   -3.9571   -0.7836 H   0  0  0  0  0
    4.3236   -2.9701    0.3269 H   0  0  0  0  0
    4.8173   -3.5022    1.9299 H   0  0  0  0  0
    6.8270   -6.4627    2.0383 H   0  0  0  0  0
    8.8405   -7.6255    0.8748 H   0  0  0  0  0
   10.8285   -6.7537   -0.9534 H   0  0  0  0  0
   11.6421   -4.8098   -2.2772 H   0  0  0  0  0
   10.4642   -2.6318   -2.1592 H   0  0  0  0  0
    8.4601   -2.3576   -0.7195 H   0  0  0  0  0
    1.7941    0.3333   -0.6494 H   0  0  0  0  0
    2.5006    1.7303   -2.9321 H   0  0  0  0  0
    1.4650    2.8453   -2.0479 H   0  0  0  0  0
    1.6064   -0.3681   -3.8672 H   0  0  0  0  0
   -2.6733   -0.8438   -4.0146 H   0  0  0  0  0
   -0.9304    2.2904   -1.6224 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 21  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
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 31 34  1  0  0  0
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 35 38  1  0  0  0
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 35 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL388380

>  <PubChem CID>
44423285

>  <Formula>
C29H30F6N2O

>  <Molecular Weight>
536.562000

>  <IUPAC Name>
(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methyl-3-spiro[indene-1,4'-piperidine]-1'-ylcyclopentane-1-carboxamide

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1(CCC(C1)N2CCC3(CC2)C=CC4=CC=CC=C34)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
C[C@@]1(CC[C@H](C1)N2CCC3(CC2)C=CC4=CC=CC=C34)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C29H30F6N2O/c1-26(25(38)36-18-19-14-21(28(30,31)32)16-22(15-19)29(33,34)35)8-7-23(17-26)37-12-10-27(11-13-37)9-6-20-4-2-3-5-24(20)27/h2-6,9,14-16,23H,7-8,10-13,17-18H2,1H3,(H,36,38)/t23-,26+/m1/s1

>  <InChI Key>
IPKKUXDCFVLCMQ-BVAGGSTKSA-N

