
 CHEMBL226066

 71 75  0  0  0  0  0  0  0  0999 V2000
    1.3841   -0.7961   -1.7988 C   0  0  0  0  0
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    8.2768   10.4360    4.5918 F   0  0  0  0  0
   10.3690   10.0710    4.1227 F   0  0  0  0  0
    9.3578   11.8129    3.3031 F   0  0  0  0  0
    8.0478   10.1455   -1.3369 C   0  0  0  0  0
    7.0229   11.0418   -1.3390 F   0  0  0  0  0
    9.1527   10.8370   -1.7294 F   0  0  0  0  0
    7.7785    9.2667   -2.3418 F   0  0  0  0  0
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    0.8146   -0.3316    0.1990 H   0  0  0  0  0
    2.0057    1.5653   -0.6877 H   0  0  0  0  0
    3.5062    0.6596   -0.8688 H   0  0  0  0  0
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    4.6752   -0.1444    1.2901 H   0  0  0  0  0
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    4.5308   -1.6593   -0.6784 H   0  0  0  0  0
    4.2612   -4.1773   -1.2456 H   0  0  0  0  0
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    0.0000   -6.4664    0.2855 H   0  0  0  0  0
   -1.1851   -4.5940    1.3954 H   0  0  0  0  0
   -0.1522   -2.3347    1.5039 H   0  0  0  0  0
    4.6514    2.2731    0.5407 H   0  0  0  0  0
    1.9498    3.5970    1.1611 H   0  0  0  0  0
    2.8192    3.6353   -0.3816 H   0  0  0  0  0
    4.3618    5.1854    0.3866 H   0  0  0  0  0
    3.0472    5.6173    1.4774 H   0  0  0  0  0
    4.9873    2.2237    2.9814 H   0  0  0  0  0
    3.3242    2.7468    3.2600 H   0  0  0  0  0
    3.2109    4.9964    3.9576 H   0  0  0  0  0
    4.4815    6.1601    3.5852 H   0  0  0  0  0
    4.8671    4.7128    4.5212 H   0  0  0  0  0
    5.8681    6.5131    1.8835 H   0  0  0  0  0
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    8.5308    5.6095    2.4069 H   0  0  0  0  0
    7.6960    7.5052   -0.6730 H   0  0  0  0  0
    8.7909   11.3240    0.9954 H   0  0  0  0  0
    8.6720    7.8241    3.5087 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL226066

>  <PubChem CID>
11606411

>  <Formula>
C30H32F6N2O

>  <Molecular Weight>
550.589000

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

>  <XlogP>
7.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1CN(CCC12C=CC3=CC=CC=C23)C4CCC(C4)(C)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
C[C@H]1CN(CC[C@@]12C=CC3=CC=CC=C23)[C@@H]4CC[C@](C4)(C)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C30H32F6N2O/c1-19-18-38(12-11-28(19)10-7-21-5-3-4-6-25(21)28)24-8-9-27(2,16-24)26(39)37-17-20-13-22(29(31,32)33)15-23(14-20)30(34,35)36/h3-7,10,13-15,19,24H,8-9,11-12,16-18H2,1-2H3,(H,37,39)/t19-,24+,27-,28-/m0/s1

>  <InChI Key>
UAKDPJAUOVRMIX-FRKLKZNZSA-N

