
 CHEMBL87717

 51 54  0  0  0  0  0  0  0  0999 V2000
    0.7649    1.8278    0.0975 C   0  0  0  0  0
   -0.6983    1.6099    0.4960 C   0  0  0  0  0
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    0.8093   -0.5299   -0.7465 C   0  0  0  0  0
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    1.4982    0.6344    2.4977 O   0  0  0  0  0
    2.6904   -1.2018    1.6893 C   0  0  0  0  0
    3.6532   -1.6220    0.7623 C   0  0  0  0  0
    4.3648   -2.8034    0.9870 C   0  0  0  0  0
    4.1179   -3.5507    2.1342 C   0  0  0  0  0
    3.1780   -3.1365    3.0700 C   0  0  0  0  0
    2.4660   -1.9567    2.8510 C   0  0  0  0  0
    4.7983   -4.6852    2.3398 F   0  0  0  0  0
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   -3.6424    1.6569   -0.5467 C   0  0  0  0  0
   -3.7140    1.9385   -2.0565 C   0  0  0  0  0
   -2.4003    2.3881   -2.7351 C   0  0  0  0  0
   -2.0584    1.2661   -3.6651 C   0  0  0  0  0
   -0.9095    1.1071   -4.4222 C   0  0  0  0  0
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   -5.1763    0.0813   -2.6874 O   0  0  0  0  0
    0.7958    2.2795   -0.9034 H   0  0  0  0  0
    1.2240    2.5544    0.7786 H   0  0  0  0  0
   -1.1997    2.5805    0.4215 H   0  0  0  0  0
   -0.7749    1.2947    1.5434 H   0  0  0  0  0
   -0.7037   -1.0756    0.7119 H   0  0  0  0  0
   -1.1296   -1.3922   -0.9728 H   0  0  0  0  0
    1.2873   -1.5130   -0.6930 H   0  0  0  0  0
    0.8348   -0.2362   -1.8046 H   0  0  0  0  0
    2.5297    0.7416   -0.4065 H   0  0  0  0  0
    3.8699   -1.0467   -0.1329 H   0  0  0  0  0
    5.1115   -3.1458    0.2768 H   0  0  0  0  0
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    1.7308   -1.6293    3.5845 H   0  0  0  0  0
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   -3.1536   -0.4303   -0.5930 H   0  0  0  0  0
   -3.3423    2.5719   -0.0241 H   0  0  0  0  0
   -4.6631    1.4432   -0.1999 H   0  0  0  0  0
   -4.4697    2.7172   -2.2258 H   0  0  0  0  0
   -1.5973    2.6120   -2.0320 H   0  0  0  0  0
   -2.5828    3.2932   -3.3267 H   0  0  0  0  0
   -0.0963    1.8239   -4.3622 H   0  0  0  0  0
    0.0794   -0.1497   -5.8692 H   0  0  0  0  0
   -1.7769   -1.7882   -6.0257 H   0  0  0  0  0
   -3.8391   -1.4825   -4.6371 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
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 12 13  1  0  0  0
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 13 14  2  0  0  0
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 19 47  1  0  0  0
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 20 21  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL87717

>  <PubChem CID>
9951008

>  <Formula>
C23H24FNO2

>  <Molecular Weight>
365.448000

>  <IUPAC Name>
2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3-dihydroinden-1-one

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCC3CC4=CC=CC=C4C3=O

>  <Isomeric SMILES>
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCC3CC4=CC=CC=C4C3=O

>  <InChI Std. ID>
InChI=1S/C23H24FNO2/c24-20-7-5-16(6-8-20)22(26)17-9-12-25(13-10-17)14-11-19-15-18-3-1-2-4-21(18)23(19)27/h1-8,17,19H,9-15H2

>  <InChI Key>
AVNSTIVMFUJDDN-UHFFFAOYSA-N

