
 CHEMBL3613884

 70 72  0  0  0  0  0  0  0  0999 V2000
    1.0803    0.3304   -0.0560 C   0  0  0  0  0
    1.7953   -0.3209   -1.2276 C   0  0  0  0  0
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   -2.4859    1.5729   -0.1192 F   0  0  0  0  0
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    0.0131    0.4011   -0.2765 H   0  0  0  0  0
    1.4425    0.0794   -2.1792 H   0  0  0  0  0
    1.5091   -1.3808   -1.2398 H   0  0  0  0  0
    5.5525    2.1055   -0.3190 H   0  0  0  0  0
    4.7820    0.2229    1.3738 H   0  0  0  0  0
    6.3739    0.9502    1.3337 H   0  0  0  0  0
    6.6920   -1.3292    1.6165 H   0  0  0  0  0
    5.6408   -1.8200    0.3109 H   0  0  0  0  0
    7.8280   -0.6422   -2.3715 H   0  0  0  0  0
    6.2786   -1.3866   -2.0206 H   0  0  0  0  0
    7.1983    1.4746   -1.6024 H   0  0  0  0  0
    5.9196    0.9323   -2.6699 H   0  0  0  0  0
    9.0749   -2.1749   -1.0569 H   0  0  0  0  0
    7.5564   -3.0377   -0.8506 H   0  0  0  0  0
    9.8946   -1.0417    1.3680 H   0  0  0  0  0
    8.4472   -5.5057    2.9745 H   0  0  0  0  0
    7.6618   -4.6754    0.8028 H   0  0  0  0  0
   10.3509   -5.3518    4.6591 H   0  0  0  0  0
   11.4742   -3.8432    6.3757 H   0  0  0  0  0
   12.1787   -3.8425    4.7671 H   0  0  0  0  0
   11.9700   -1.5318    5.6870 H   0  0  0  0  0
   10.2268   -1.7260    5.8125 H   0  0  0  0  0
   11.9497   -1.6358    3.3006 H   0  0  0  0  0
   10.6121   -0.5711    3.7569 H   0  0  0  0  0
    8.5538   -3.3019    5.7156 H   0  0  0  0  0
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    3.8442    3.3041    0.3742 H   0  0  0  0  0
   -2.3833   -0.2059   -0.9682 H   0  0  0  0  0
  1  2  1  0  0  0
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  2  3  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3613884

>  <PubChem CID>
122189401

>  <Formula>
C27H34F3N3O3

>  <Molecular Weight>
505.582000

>  <IUPAC Name>
N-[1-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide;2,2,2-trifluoroacetic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC(=O)N(C1CCN(CC1)CC2=CC3=C(C=C2)C(CCC3)N)C4=CC=CC=C4.C(=O)(C(F)(F)F)O

>  <Isomeric SMILES>
CCC(=O)N(C1CCN(CC1)CC2=CC3=C(C=C2)[C@@H](CCC3)N)C4=CC=CC=C4.C(=O)(C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C25H33N3O.C2HF3O2/c1-2-25(29)28(21-8-4-3-5-9-21)22-13-15-27(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)26;3-2(4,5)1(6)7/h3-5,8-9,11-12,17,22,24H,2,6-7,10,13-16,18,26H2,1H3;(H,6,7)/t24-;/m1./s1

>  <InChI Key>
AHMIMHSFVOEQKB-GJFSDDNBSA-N

