
 CHEMBL230831

 75 79  0  0  0  0  0  0  0  0999 V2000
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    0.4488    0.7058   -1.2406 C   0  0  0  0  0
    1.5718    1.7647   -1.1832 C   0  0  0  0  0
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    5.5931    6.4671    2.3852 O   0  0  0  0  0
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   12.3677    1.6090    0.9360 F   0  0  0  0  0
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    9.8698    4.4352    5.7350 F   0  0  0  0  0
   11.0184    6.2116    5.2312 F   0  0  0  0  0
    8.8588    6.2059    4.9814 F   0  0  0  0  0
   -0.4831    1.6013   -2.9899 H   0  0  0  0  0
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    0.6664    0.3214   -3.3894 H   0  0  0  0  0
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    1.1380    2.7145   -1.5182 H   0  0  0  0  0
    2.3616    1.5068   -1.9014 H   0  0  0  0  0
    2.9093    0.8018    1.7689 H   0  0  0  0  0
    3.4903    0.3006    0.1825 H   0  0  0  0  0
    0.7208   -0.0912    1.4170 H   0  0  0  0  0
    1.9323   -1.3318    1.1536 H   0  0  0  0  0
    2.9069   -0.9124   -1.8642 H   0  0  0  0  0
    2.1312   -3.2901   -2.5448 H   0  0  0  0  0
   -0.1745   -4.8475   -1.9865 H   0  0  0  0  0
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    4.0176    2.5832   -0.5907 H   0  0  0  0  0
    1.9149    4.6324    0.2948 H   0  0  0  0  0
    2.6236    4.4623   -1.3189 H   0  0  0  0  0
    4.5985    5.4964   -0.6801 H   0  0  0  0  0
    3.5870    6.1956    0.5823 H   0  0  0  0  0
    4.5354    2.3351    1.8189 H   0  0  0  0  0
    3.1601    3.3588    2.2490 H   0  0  0  0  0
    5.5370    4.6037    3.2837 H   0  0  0  0  0
    3.9593    5.3917    3.0368 H   0  0  0  0  0
    6.2231    6.5815    4.3662 H   0  0  0  0  0
    4.7193    7.4788    3.9717 H   0  0  0  0  0
    6.2988    8.0871    3.4255 H   0  0  0  0  0
    6.7237    6.0328    0.9035 H   0  0  0  0  0
    8.6400    5.9335   -0.4701 H   0  0  0  0  0
    8.3722    4.1974   -0.7367 H   0  0  0  0  0
    8.3402    5.8027    2.6633 H   0  0  0  0  0
   12.0270    3.9371    3.8604 H   0  0  0  0  0
   10.6350    3.5452   -0.1968 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL230831

>  <PubChem CID>
44425639

>  <Formula>
C31H34F6N2O2

>  <Molecular Weight>
580.615000

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

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

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

>  <Isomeric SMILES>
C[C@H]1CN(CC[C@]12C=CC3=CC=CC=C23)C4CCC(C4)(COC)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C31H34F6N2O2/c1-20-18-39(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-41-2)27(40)38-17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,38,40)/t20-,25?,28?,29+/m0/s1

>  <InChI Key>
BZZXSUHOLOFNJP-FYZPOUGESA-N

