
 CHEMBL109673

 51 54  0  0  0  0  0  0  0  0999 V2000
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    3.1265   -0.1916    1.9797 O   0  0  0  0  0
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    4.5392   -0.1234   -0.7134 C   0  0  0  0  0
    5.6742   -1.0568   -0.6441 N   0  0  0  0  0
    5.8787   -1.8785   -1.8405 C   0  0  0  0  0
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   11.1748   -1.8141   -8.0036 F   0  0  0  0  0
    1.5613   -2.9530   -1.1815 H   0  0  0  0  0
    0.6924   -1.8526   -0.1105 H   0  0  0  0  0
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    0.1869   -4.0932    0.6165 H   0  0  0  0  0
    2.5303   -1.2409    4.5868 H   0  0  0  0  0
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    3.6468   -2.6058    0.2341 H   0  0  0  0  0
    2.3974    0.0089   -0.7772 H   0  0  0  0  0
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    7.6913   -1.0964   -0.0577 H   0  0  0  0  0
    6.7962    0.2473    0.5903 H   0  0  0  0  0
    8.5420    0.6082   -5.2999 H   0  0  0  0  0
    9.5931    0.1702   -7.4753 H   0  0  0  0  0
   11.5246   -3.3161   -5.9108 H   0  0  0  0  0
   10.4791   -2.9208   -3.6939 H   0  0  0  0  0
  1 10  1  0  0  0
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  6  7  1  0  0  0
  6 33  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL109673

>  <PubChem CID>
10249506

>  <Formula>
C22H24FNO2S

>  <Molecular Weight>
385.497000

>  <IUPAC Name>
5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2=C(C=CS2)C(=O)C1CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CC2=C(C=CS2)C(=O)C1CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C22H24FNO2S/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2

>  <InChI Key>
AJNQCCIFRZGSQR-UHFFFAOYSA-N

