
 CHEMBL230405

 81 86  0  0  0  0  0  0  0  0999 V2000
    2.2244   -0.8172   -2.6712 C   0  0  0  0  0
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    5.1596    2.3621   -0.0446 H   0  0  0  0  0
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    4.5729    5.4108   -0.0806 H   0  0  0  0  0
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    3.5855    2.7422    2.5641 H   0  0  0  0  0
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    4.7776    6.1839    3.0119 H   0  0  0  0  0
    5.2673    3.4942    4.4542 H   0  0  0  0  0
    7.0599    6.0483    4.1350 H   0  0  0  0  0
    7.6146    4.3555    4.2220 H   0  0  0  0  0
    6.7474    4.1157    6.5541 H   0  0  0  0  0
    7.0273    5.8752    6.6241 H   0  0  0  0  0
    4.3446    4.7901    6.3409 H   0  0  0  0  0
    4.7910    6.3492    5.6024 H   0  0  0  0  0
    6.2177    6.5497    1.3483 H   0  0  0  0  0
    8.5144    5.3749    0.0749 H   0  0  0  0  0
    8.8127    5.5904    1.7938 H   0  0  0  0  0
    8.2675    7.3131   -1.4222 H   0  0  0  0  0
    9.4789   11.1610    0.0907 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL230405

>  <PubChem CID>
44425637

>  <Formula>
C34H38F6N2O

>  <Molecular Weight>
604.681000

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

>  <XlogP>
8.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1CN(CCC12C=CC3=CC=CC=C23)C4CCC(C4)(CC5CCC5)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)[C@@H]4CC[C@](C4)(CC5CCC5)C(=O)NCC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C34H38F6N2O/c1-22-21-42(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(43)41-20-24-15-26(33(35,36)37)17-27(16-24)34(38,39)40/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,41,43)/t22-,28+,31+,32+/m0/s1

>  <InChI Key>
NYVVWKWXURQMLL-PSVFVGLHSA-N

