
 CHEMBL231039

 77 81  0  0  0  0  0  0  0  0999 V2000
    1.5113   -1.0213   -1.9682 C   0  0  0  0  0
    2.0242   -0.7343   -0.5485 C   0  0  0  0  0
    2.8654    0.5553   -0.5634 C   0  0  0  0  0
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    8.3439    8.4650   -2.3319 C   0  0  0  0  0
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    8.7278    8.4466   -3.6151 F   0  0  0  0  0
    7.1186   11.0019    0.2114 C   0  0  0  0  0
    8.1205   11.9216    0.2428 F   0  0  0  0  0
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    6.6880   10.8703    1.4969 F   0  0  0  0  0
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    0.8735   -1.9100   -1.9935 H   0  0  0  0  0
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    1.1361   -0.5348    0.0695 H   0  0  0  0  0
    2.2255    1.3501   -0.9626 H   0  0  0  0  0
    3.7122    0.4533   -1.2553 H   0  0  0  0  0
    4.4932    0.0998    2.3589 H   0  0  0  0  0
    5.0844   -0.2915    0.7447 H   0  0  0  0  0
    2.5799   -1.3157    2.1769 H   0  0  0  0  0
    4.0433   -2.2319    1.8735 H   0  0  0  0  0
    4.7428   -1.8905   -1.1701 H   0  0  0  0  0
    4.3821   -4.4119   -1.6715 H   0  0  0  0  0
    2.3976   -6.3095   -0.9240 H   0  0  0  0  0
    0.2889   -6.6229    0.3596 H   0  0  0  0  0
   -0.7342   -4.7225    1.5789 H   0  0  0  0  0
    0.3341   -2.4780    1.5387 H   0  0  0  0  0
    4.8659    2.1854    0.0166 H   0  0  0  0  0
    2.2281    3.3631    1.0870 H   0  0  0  0  0
    2.7957    3.4341   -0.5919 H   0  0  0  0  0
    4.5226    4.9012   -0.0963 H   0  0  0  0  0
    3.3216    5.4611    1.0641 H   0  0  0  0  0
    5.5174    2.0847    2.3595 H   0  0  0  0  0
    3.8753    2.4859    2.8890 H   0  0  0  0  0
    3.5003    4.7941    3.4964 H   0  0  0  0  0
    4.6257    6.0439    3.0143 H   0  0  0  0  0
    6.4597    4.9124    4.2966 H   0  0  0  0  0
    3.9305    5.6098    5.8785 H   0  0  0  0  0
    5.1142    6.7692    5.2452 H   0  0  0  0  0
    5.5870    5.6251    6.5069 H   0  0  0  0  0
    4.2264    3.0324    5.2312 H   0  0  0  0  0
    5.7452    3.2703    6.1042 H   0  0  0  0  0
    5.7818    2.5816    4.4956 H   0  0  0  0  0
    5.8920    6.3431    0.9177 H   0  0  0  0  0
    8.3060    5.1678   -0.0660 H   0  0  0  0  0
    8.6490    6.1029    1.3929 H   0  0  0  0  0
    7.2689    8.5189    1.3804 H   0  0  0  0  0
    7.9614   10.5716   -2.3575 H   0  0  0  0  0
    8.6590    6.3650   -2.0948 H   0  0  0  0  0
  1  2  1  0  0  0
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  7  8  1  0  0  0
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  9 51  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL231039

>  <PubChem CID>
44425647

>  <Formula>
C32H38F4N2O

>  <Molecular Weight>
542.663000

>  <IUPAC Name>
(1R,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpropyl)-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide

>  <XlogP>
7.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

>  <InChI Std. ID>
InChI=1S/C32H38F4N2O/c1-21(2)17-30(29(39)37-19-23-14-25(32(34,35)36)16-26(33)15-23)10-9-27(18-30)38-13-12-31(22(3)20-38)11-8-24-6-4-5-7-28(24)31/h4-8,11,14-16,21-22,27H,9-10,12-13,17-20H2,1-3H3,(H,37,39)/t22-,27+,30+,31+/m0/s1

>  <InChI Key>
NGECIXLOAVQTKQ-DUBVAAOESA-N

