
 CHEMBL387587

 77 81  0  0  0  0  0  0  0  0999 V2000
    3.1561    4.2771    2.4286 C   0  0  0  0  0
    4.2075    3.9611    1.3759 C   0  0  0  0  0
    4.6061    2.4792    1.4107 C   0  0  0  0  0
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    6.0713    0.5939    0.4774 C   0  0  0  0  0
    8.2527   -0.6909    0.4337 N   0  0  0  0  0
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    2.8739    5.3334    2.3761 H   0  0  0  0  0
    3.5372    4.0771    3.4350 H   0  0  0  0  0
    2.2540    3.6765    2.2750 H   0  0  0  0  0
    5.0819    4.5975    1.5498 H   0  0  0  0  0
    3.8060    4.2239    0.3910 H   0  0  0  0  0
    3.7079    1.8681    1.2560 H   0  0  0  0  0
    4.9672    2.2337    2.4185 H   0  0  0  0  0
    7.0974    3.0948    1.7361 H   0  0  0  0  0
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    8.2667    1.8683   -0.7774 H   0  0  0  0  0
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    7.6066    0.5898    1.9338 H   0  0  0  0  0
    5.8743    0.0822   -0.4695 H   0  0  0  0  0
    5.4859    0.0669    1.2404 H   0  0  0  0  0
    8.3312   -0.0540   -1.6095 H   0  0  0  0  0
    7.2653   -1.4016   -1.2744 H   0  0  0  0  0
   10.2275   -1.3303   -1.7337 H   0  0  0  0  0
    9.0149   -2.3967   -2.4239 H   0  0  0  0  0
   11.8142   -3.4599   -1.2181 H   0  0  0  0  0
   11.0749   -5.9267   -1.5647 H   0  0  0  0  0
    8.6600   -7.3337   -1.1399 H   0  0  0  0  0
    6.3334   -7.1502   -0.2780 H   0  0  0  0  0
    5.4948   -4.9918    0.6062 H   0  0  0  0  0
    6.9467   -2.9894    0.6251 H   0  0  0  0  0
   11.2655   -2.0867    0.7902 H   0  0  0  0  0
    9.5943   -0.5203    2.0586 H   0  0  0  0  0
   10.2724   -0.0994    0.4977 H   0  0  0  0  0
   10.4130   -4.0497    2.0734 H   0  0  0  0  0
    8.9330   -3.1337    2.4439 H   0  0  0  0  0
   10.5017   -2.5529    2.9986 H   0  0  0  0  0
    3.7186    0.9404   -0.8340 H   0  0  0  0  0
    4.2453    1.6008   -3.4594 H   0  0  0  0  0
    3.2272    2.9234   -2.8825 H   0  0  0  0  0
    1.1403    1.9576   -1.3076 H   0  0  0  0  0
   -0.9701   -1.1389   -3.4363 H   0  0  0  0  0
    3.0485   -0.0931   -4.5809 H   0  0  0  0  0
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  6  7  1  0  0  0
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  9 22  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL387587

>  <PubChem CID>
44425634

>  <Formula>
C32H36F6N2O

>  <Molecular Weight>
578.643000

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

>  <XlogP>
8.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCC1(CCC(C1)N2CCC3(C=CC4=CC=CC=C43)C(C2)C)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CCC[C@@]1(CC[C@H](C1)N2CC[C@]3(C=CC4=CC=CC=C43)[C@H](C2)C)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C32H36F6N2O/c1-3-10-29(28(41)39-19-22-15-24(31(33,34)35)17-25(16-22)32(36,37)38)11-9-26(18-29)40-14-13-30(21(2)20-40)12-8-23-6-4-5-7-27(23)30/h4-8,12,15-17,21,26H,3,9-11,13-14,18-20H2,1-2H3,(H,39,41)/t21-,26+,29-,30+/m0/s1

>  <InChI Key>
IMMJZWRYKWNOHX-UDJVMPNMSA-N

