
 CHEMBL231143

 83 87  0  0  0  0  0  0  0  0999 V2000
   -0.1718    3.7886    0.1244 C   0  0  0  0  0
    0.8310    3.0998   -0.7878 C   0  0  0  0  0
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    7.5112    6.9932   -0.3965 C   0  0  0  0  0
    7.5422    6.4240    1.0235 C   0  0  0  0  0
    7.3728    4.9078    0.7933 C   0  0  0  0  0
    8.7333    6.7865    1.8215 N   0  0  0  0  0
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   -1.1457    3.2935    0.0610 H   0  0  0  0  0
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    2.1004    4.8263   -1.0357 H   0  0  0  0  0
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    3.4109    2.0601   -1.2290 H   0  0  0  0  0
    4.3327    4.8239   -2.1675 H   0  0  0  0  0
    5.1570    3.3037   -2.4855 H   0  0  0  0  0
    5.5014    2.9602   -0.0262 H   0  0  0  0  0
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    6.3989    6.3109   -2.1342 H   0  0  0  0  0
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    6.6429    6.7854    1.5459 H   0  0  0  0  0
    8.3564    4.4224    0.7885 H   0  0  0  0  0
    6.8022    4.4625    1.6174 H   0  0  0  0  0
    8.7697    5.0851    3.0584 H   0  0  0  0  0
    7.6904    6.3410    3.6207 H   0  0  0  0  0
   10.7280    6.2257    3.7448 H   0  0  0  0  0
    9.6044    6.1677    5.0940 H   0  0  0  0  0
   12.0893    8.2488    4.8283 H   0  0  0  0  0
   11.4066    9.4988    7.0045 H   0  0  0  0  0
    8.9435   10.3368    8.1013 H   0  0  0  0  0
    6.4830   10.4143    7.7390 H   0  0  0  0  0
    5.4929    9.4447    5.6858 H   0  0  0  0  0
    6.9139    8.3871    3.9841 H   0  0  0  0  0
   10.9741    8.3626    2.3892 H   0  0  0  0  0
    7.9666    8.7490    2.1031 H   0  0  0  0  0
    9.1804    8.5885    0.8503 H   0  0  0  0  0
    9.1947   10.7489    3.0937 H   0  0  0  0  0
   10.2876   10.6059    1.7135 H   0  0  0  0  0
   10.9485   10.6479    3.3458 H   0  0  0  0  0
    7.6456    2.3920   -0.2506 H   0  0  0  0  0
    9.2391    2.4457   -2.7870 H   0  0  0  0  0
    8.1989    1.0914   -2.3452 H   0  0  0  0  0
    8.5983    0.1296    0.1463 H   0  0  0  0  0
   12.8067   -0.2337    1.0396 H   0  0  0  0  0
   11.5338    2.3124   -2.1477 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL231143

>  <PubChem CID>
44425650

>  <Formula>
C34H42F4N2O

>  <Molecular Weight>
570.717000

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

>  <XlogP>
9.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCCCC1(CCC(C1)N2CCC3(C=CC4=CC=CC=C43)C(C2)C)C(=O)NCC5=CC(=CC(=C5)F)C(F)(F)F

>  <Isomeric SMILES>
CCCCCCC1(CCC(C1)N2CC[C@]3(C=CC4=CC=CC=C43)[C@H](C2)C)C(=O)NCC5=CC(=CC(=C5)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C34H42F4N2O/c1-3-4-5-8-13-32(31(41)39-22-25-18-27(34(36,37)38)20-28(35)19-25)14-12-29(21-32)40-17-16-33(24(2)23-40)15-11-26-9-6-7-10-30(26)33/h6-7,9-11,15,18-20,24,29H,3-5,8,12-14,16-17,21-23H2,1-2H3,(H,39,41)/t24-,29?,32?,33+/m0/s1

>  <InChI Key>
FONMXWMXXFXJLM-DQGLUBORSA-N

