
 CHEMBL230722

 68 72  0  0  0  0  0  0  0  0999 V2000
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    3.6018    1.1367   -1.3547 H   0  0  0  0  0
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    0.8416   -6.3386   -0.4308 H   0  0  0  0  0
    0.0865   -4.7795    1.3415 H   0  0  0  0  0
    1.0640   -2.5004    1.5166 H   0  0  0  0  0
    5.0416    2.6695   -0.0104 H   0  0  0  0  0
    2.5363    3.5230    1.5562 H   0  0  0  0  0
    2.8953    3.8860   -0.1440 H   0  0  0  0  0
    4.6448    5.3375    0.3888 H   0  0  0  0  0
    3.5362    5.6796    1.7085 H   0  0  0  0  0
    6.0873    2.3140    2.1285 H   0  0  0  0  0
    4.5482    2.3867    2.9916 H   0  0  0  0  0
    3.8041    4.5443    3.9431 H   0  0  0  0  0
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    5.4738    4.2991    4.4604 H   0  0  0  0  0
    7.4023    3.7649    3.5515 H   0  0  0  0  0
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   10.3955    2.5713    2.1648 H   0  0  0  0  0
   12.3062    2.2899    6.0302 H   0  0  0  0  0
    9.6332    5.5248    5.2187 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
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  2  3  1  0  0  0
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  3  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL230722

>  <PubChem CID>
44425643

>  <Formula>
C29H32F4N2O

>  <Molecular Weight>
500.582000

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

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(CCC12C=CC3=CC=CC=C23)C4CCC(C4)(C)C(=O)NCC5=CC(=CC(=C5)F)C(F)(F)F

>  <Isomeric SMILES>
C[C@H]1CN(CC[C@]12C=CC3=CC=CC=C23)[C@@H]4CC[C@](C4)(C)C(=O)NCC5=CC(=CC(=C5)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C29H32F4N2O/c1-19-18-35(12-11-28(19)10-7-21-5-3-4-6-25(21)28)24-8-9-27(2,16-24)26(36)34-17-20-13-22(29(31,32)33)15-23(30)14-20/h3-7,10,13-15,19,24H,8-9,11-12,16-18H2,1-2H3,(H,34,36)/t19-,24+,27-,28+/m0/s1

>  <InChI Key>
LMCGEWVHFZFMRY-JVRHDVHHSA-N

