
 CHEMBL388007

 74 78  0  0  0  0  0  0  0  0999 V2000
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    4.3194    4.0242   -0.7075 H   0  0  0  0  0
    3.2707    5.2623    0.0179 H   0  0  0  0  0
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    6.1159    7.2341    8.1811 H   0  0  0  0  0
    3.6485    7.5316    8.0600 H   0  0  0  0  0
    2.3823    6.6764    6.1100 H   0  0  0  0  0
    3.5322    5.5142    4.2778 H   0  0  0  0  0
    7.3894    5.1467    2.2860 H   0  0  0  0  0
    4.4156    5.8026    2.3125 H   0  0  0  0  0
    5.4720    5.5366    0.9413 H   0  0  0  0  0
    5.9082    7.6748    3.1640 H   0  0  0  0  0
    6.8390    7.4456    1.6805 H   0  0  0  0  0
    7.6628    7.4193    3.2374 H   0  0  0  0  0
    3.3925   -0.4704   -0.3135 H   0  0  0  0  0
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    2.6921    0.0874   -3.9319 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL388007

>  <PubChem CID>
44425631

>  <Formula>
C31H34F6N2O

>  <Molecular Weight>
564.616000

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

>  <XlogP>
7.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC1(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>
CCC1(CCC(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/C31H34F6N2O/c1-3-28(27(40)38-18-21-14-23(30(32,33)34)16-24(15-21)31(35,36)37)10-9-25(17-28)39-13-12-29(20(2)19-39)11-8-22-6-4-5-7-26(22)29/h4-8,11,14-16,20,25H,3,9-10,12-13,17-19H2,1-2H3,(H,38,40)/t20-,25?,28?,29+/m0/s1

>  <InChI Key>
FEHOZFOZMBPRSW-FYZPOUGESA-N

