
 CHEMBL230078

 78 83  0  0  0  0  0  0  0  0999 V2000
    2.0655   -0.6484   -2.7795 C   0  0  0  0  0
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    0.6798   -6.3968   -1.0513 H   0  0  0  0  0
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    3.3949    3.6815   -1.1152 H   0  0  0  0  0
    4.9330    5.1908   -0.2837 H   0  0  0  0  0
    3.6076    5.6002    0.7659 H   0  0  0  0  0
    5.6209    2.1527    2.1535 H   0  0  0  0  0
    3.9353    2.5591    2.4690 H   0  0  0  0  0
    4.9879    6.0942    2.8881 H   0  0  0  0  0
    5.3776    4.6950    3.8615 H   0  0  0  0  0
    2.6039    5.0752    2.6323 H   0  0  0  0  0
    3.6375    3.4289    5.0860 H   0  0  0  0  0
    1.9270    3.5062    4.4763 H   0  0  0  0  0
    1.9184    5.9998    4.8299 H   0  0  0  0  0
    3.6334    5.9227    5.4298 H   0  0  0  0  0
    7.0919    3.6190    3.3214 H   0  0  0  0  0
    9.2190    4.0956    1.2870 H   0  0  0  0  0
    9.3188    3.1471    2.7738 H   0  0  0  0  0
    8.3202    6.6935    1.8805 H   0  0  0  0  0
   10.9049    8.4260    4.8519 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL230078

>  <PubChem CID>
44425636

>  <Formula>
C33H36F6N2O

>  <Molecular Weight>
590.654000

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

>  <XlogP>
8.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1CN(CCC12C=CC3=CC=CC=C23)C4CCC(C4)(CC5CC5)C(=O)NCC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
C[C@H]1CN(CC[C@]12C=CC3=CC=CC=C23)C4CCC(C4)(CC5CC5)C(=O)NCC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C33H36F6N2O/c1-21-20-41(13-12-31(21)11-8-24-4-2-3-5-28(24)31)27-9-10-30(18-27,17-22-6-7-22)29(42)40-19-23-14-25(32(34,35)36)16-26(15-23)33(37,38)39/h2-5,8,11,14-16,21-22,27H,6-7,9-10,12-13,17-20H2,1H3,(H,40,42)/t21-,27?,30?,31+/m0/s1

>  <InChI Key>
JZQUTVIGHZYROK-SKDYKVSPSA-N

