
 CHEMBL159929

 51 54  0  0  0  0  0  0  0  0999 V2000
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    5.4438   -0.9880   -0.9517 N   0  0  0  0  0
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    6.3241   -0.7343   -3.2877 C   0  0  0  0  0
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    1.1094   -2.6556    3.6381 H   0  0  0  0  0
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   12.9074    0.0266   -4.7492 H   0  0  0  0  0
   11.3787    0.0534   -2.7947 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL159929

>  <PubChem CID>
10090486

>  <Formula>
C22H24FNO3

>  <Molecular Weight>
369.436000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2=C(C=CO2)C(=O)C1CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CC2=C(C=CO2)C(=O)C1CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C22H24FNO3/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>
GYKDCMFZJCNANX-UHFFFAOYSA-N

