
 CHEMBL389610

 72 76  0  0  0  0  0  0  0  0999 V2000
    1.8274   -0.2215   -2.4078 C   0  0  0  0  0
    2.2935   -0.0031   -0.9599 C   0  0  0  0  0
    3.2209    1.2267   -0.9006 C   0  0  0  0  0
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    3.3325    5.1605    3.2727 O   0  0  0  0  0
    2.8117    5.8258    4.4164 C   0  0  0  0  0
    6.7996    4.9256    1.8168 C   0  0  0  0  0
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   10.2102    1.8907    3.2071 C   0  0  0  0  0
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   11.0488    1.3018    1.0193 C   0  0  0  0  0
   10.3894    2.3846    0.4458 C   0  0  0  0  0
   11.7780    0.4907    0.2422 F   0  0  0  0  0
   10.1118    1.6120    4.6864 C   0  0  0  0  0
    9.5982    0.3773    4.9448 F   0  0  0  0  0
   11.3244    1.6496    5.3039 F   0  0  0  0  0
    9.3204    2.4917    5.3592 F   0  0  0  0  0
    1.3038    0.6672   -2.7774 H   0  0  0  0  0
    1.1299   -1.0613   -2.4832 H   0  0  0  0  0
    2.6683   -0.4108   -3.0830 H   0  0  0  0  0
    1.3931    0.2400   -0.3763 H   0  0  0  0  0
    2.6538    2.0747   -1.3013 H   0  0  0  0  0
    4.0868    1.0840   -1.5607 H   0  0  0  0  0
    4.6371    0.5900    2.1018 H   0  0  0  0  0
    5.3040    0.1799    0.5238 H   0  0  0  0  0
    2.6399   -0.6808    1.7608 H   0  0  0  0  0
    4.0512   -1.6956    1.5312 H   0  0  0  0  0
    4.9768   -1.2932   -1.4587 H   0  0  0  0  0
    4.5029   -3.7642   -2.0918 H   0  0  0  0  0
    2.3646   -5.5625   -1.5668 H   0  0  0  0  0
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   -0.8129   -3.9049    0.8294 H   0  0  0  0  0
    0.3857   -1.7307    0.9640 H   0  0  0  0  0
    5.3470    2.6284   -0.1424 H   0  0  0  0  0
    2.7338    4.0622    0.5620 H   0  0  0  0  0
    3.5900    4.0918   -0.9905 H   0  0  0  0  0
    5.3052    5.4635   -0.1729 H   0  0  0  0  0
    3.9638    6.0625    0.7842 H   0  0  0  0  0
    5.8488    2.5548    2.2168 H   0  0  0  0  0
    4.1868    2.9305    2.6583 H   0  0  0  0  0
    4.9382    6.4462    3.0907 H   0  0  0  0  0
    5.2412    4.9691    4.0327 H   0  0  0  0  0
    1.7829    5.4896    4.5714 H   0  0  0  0  0
    2.8060    6.9069    4.2490 H   0  0  0  0  0
    3.3942    5.5866    5.3118 H   0  0  0  0  0
    7.0165    3.6996    0.1549 H   0  0  0  0  0
    9.2912    5.3586    1.1146 H   0  0  0  0  0
    9.1292    4.5072   -0.4256 H   0  0  0  0  0
    8.9798    3.6649    3.2657 H   0  0  0  0  0
   11.4939    0.1901    2.7955 H   0  0  0  0  0
   10.4863    2.5464   -0.6241 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL389610

>  <PubChem CID>
44425651

>  <Formula>
C30H34F4N2O2

>  <Molecular Weight>
530.608000

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

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

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

>  <Isomeric SMILES>
C[C@H]1CN(CC[C@]12C=CC3=CC=CC=C23)C4CCC(C4)(COC)C(=O)NCC5=CC(=CC(=C5)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C30H34F4N2O2/c1-20-18-36(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-38-2)27(37)35-17-21-13-23(30(32,33)34)15-24(31)14-21/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,35,37)/t20-,25?,28?,29+/m0/s1

>  <InChI Key>
PBLHODZBJXXWDD-FYZPOUGESA-N

