
 CHEMBL230932

 71 75  0  0  0  0  0  0  0  0999 V2000
    0.2416    1.2432   -1.2389 C   0  0  0  0  0
    1.1433    1.2856   -0.0089 C   0  0  0  0  0
    2.4827    2.0259   -0.2358 C   0  0  0  0  0
    2.2397    3.5076   -0.5978 C   0  0  0  0  0
    3.4316    4.2387    0.0014 C   0  0  0  0  0
    3.5628    3.5786    1.3751 C   0  0  0  0  0
    3.3323    2.0853    1.0656 C   0  0  0  0  0
    4.8204    3.8653    2.1010 N   0  0  0  0  0
    4.8417    3.1528    3.3884 C   0  0  0  0  0
    5.9681    3.5650    4.3320 C   0  0  0  0  0
    6.0267    5.0848    4.5499 C   0  0  0  0  0
    7.2303    5.3982    5.4459 C   0  0  0  0  0
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    3.2623    6.6030    7.4625 C   0  0  0  0  0
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    3.5294    5.6366    5.2482 C   0  0  0  0  0
    4.9040    5.5953    5.4460 C   0  0  0  0  0
    6.1584    5.7585    3.1647 C   0  0  0  0  0
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    6.2385    7.2911    3.2051 C   0  0  0  0  0
    3.3041    1.3197   -1.3367 C   0  0  0  0  0
    3.5913    1.8521   -2.4036 O   0  0  0  0  0
    3.6870    0.0331   -1.0315 N   0  0  0  0  0
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    5.4449   -5.0069    0.2649 F   0  0  0  0  0
    8.8999   -1.5694    0.3833 C   0  0  0  0  0
    9.0507   -1.5616    1.7363 F   0  0  0  0  0
    9.8957   -2.3634   -0.0995 F   0  0  0  0  0
    9.1935   -0.3074   -0.0338 F   0  0  0  0  0
   -0.6867    0.7113   -1.0039 H   0  0  0  0  0
    0.7220    0.7193   -2.0707 H   0  0  0  0  0
   -0.0291    2.2487   -1.5745 H   0  0  0  0  0
    1.3236    0.2558    0.3231 H   0  0  0  0  0
    0.5902    1.7726    0.8054 H   0  0  0  0  0
    1.3217    3.8782   -0.1244 H   0  0  0  0  0
    2.1515    3.6981   -1.6714 H   0  0  0  0  0
    4.3309    4.0818   -0.6067 H   0  0  0  0  0
    3.2387    5.3146    0.0656 H   0  0  0  0  0
    2.7169    3.9236    1.9889 H   0  0  0  0  0
    4.2982    1.5825    0.9343 H   0  0  0  0  0
    2.8305    1.5966    1.9090 H   0  0  0  0  0
    4.9683    2.0801    3.1979 H   0  0  0  0  0
    3.8820    3.2505    3.9086 H   0  0  0  0  0
    6.9198    3.2163    3.9081 H   0  0  0  0  0
    5.8458    3.0331    5.2858 H   0  0  0  0  0
    8.2501    5.1900    5.1493 H   0  0  0  0  0
    7.5497    6.2486    7.4190 H   0  0  0  0  0
    5.0734    6.9302    8.5916 H   0  0  0  0  0
    2.6105    6.9883    8.2425 H   0  0  0  0  0
    1.6334    6.1747    6.1165 H   0  0  0  0  0
    3.0671    5.2842    4.3336 H   0  0  0  0  0
    7.1025    5.4139    2.7158 H   0  0  0  0  0
    4.0973    5.8250    2.4969 H   0  0  0  0  0
    5.2873    5.7036    1.2192 H   0  0  0  0  0
    5.3192    7.7370    3.5984 H   0  0  0  0  0
    6.3937    7.6906    2.1970 H   0  0  0  0  0
    7.0770    7.6340    3.8198 H   0  0  0  0  0
    3.3611   -0.4018   -0.1795 H   0  0  0  0  0
    5.0487   -0.1200   -2.6208 H   0  0  0  0  0
    3.7803   -1.3426   -2.5634 H   0  0  0  0  0
    6.9778   -0.2072   -1.0403 H   0  0  0  0  0
    7.7478   -4.0019    0.8762 H   0  0  0  0  0
    4.0103   -3.3418   -1.0907 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  2 41  1  0  0  0
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  3  7  1  0  0  0
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  3 23  1  0  0  0
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 34 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL230932

>  <PubChem CID>
44425644

>  <Formula>
C30H34F4N2O

>  <Molecular Weight>
514.609000

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

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1(CCC(C1)N2CCC3(C=CC4=CC=CC=C43)C(C2)C)C(=O)NCC5=CC(=CC(=C5)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)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C30H34F4N2O/c1-3-28(27(37)35-18-21-14-23(30(32,33)34)16-24(31)15-21)10-9-25(17-28)36-13-12-29(20(2)19-36)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,35,37)/t20-,25?,28?,29+/m0/s1

>  <InChI Key>
WZPMKCZRNPIWHY-FYZPOUGESA-N

