
 CHEMBL299691

 55 58  0  0  0  0  0  0  0  0999 V2000
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   -0.2110    3.2909   -2.7954 C   0  0  0  0  0
    0.7384    2.7064   -1.7588 C   0  0  0  0  0
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    1.8500    1.2582    1.7686 O   0  0  0  0  0
    2.5273    0.2945   -0.2186 N   0  0  0  0  0
    2.3347    0.0282   -1.5714 C   0  0  0  0  0
    3.2376   -0.3520   -2.3190 O   0  0  0  0  0
    0.9262    0.1839   -2.1040 C   0  0  0  0  0
    3.8858    0.1201    0.3081 C   0  0  0  0  0
    4.7396    1.3892    0.1085 C   0  0  0  0  0
    6.1389    1.2659    0.5689 N   0  0  0  0  0
    6.9470    0.3645   -0.2882 C   0  0  0  0  0
    7.2081    0.8694   -1.7289 C   0  0  0  0  0
    7.7667    2.2447   -1.7256 N   0  0  0  0  0
    7.0279    3.1885   -0.8596 C   0  0  0  0  0
    6.8117    2.5930    0.5540 C   0  0  0  0  0
    8.0517    2.6782   -3.0415 C   0  0  0  0  0
    9.1751    2.1278   -3.6858 C   0  0  0  0  0
    9.5130    2.4726   -4.9993 C   0  0  0  0  0
    8.7308    3.3808   -5.7072 C   0  0  0  0  0
    7.6174    3.9460   -5.0941 C   0  0  0  0  0
    7.2884    3.6021   -3.7820 C   0  0  0  0  0
    6.1834    4.1639   -3.2693 F   0  0  0  0  0
   -2.3352    2.8922   -3.0976 H   0  0  0  0  0
   -1.8949    3.3793   -1.4494 H   0  0  0  0  0
    0.0156    2.8898   -3.7903 H   0  0  0  0  0
   -0.1529    4.3821   -2.8428 H   0  0  0  0  0
    1.7635    2.6727   -2.1403 H   0  0  0  0  0
    0.7412    3.3560   -0.8743 H   0  0  0  0  0
   -2.0355    1.0158   -1.1888 H   0  0  0  0  0
   -1.4284    0.7193   -2.8171 H   0  0  0  0  0
   -0.3100    1.8386    0.6321 H   0  0  0  0  0
   -0.3448    0.0992    0.3214 H   0  0  0  0  0
    0.9906    0.3739   -3.1822 H   0  0  0  0  0
    0.4182   -0.7791   -1.9681 H   0  0  0  0  0
    4.3394   -0.7392   -0.1956 H   0  0  0  0  0
    3.8334   -0.1257    1.3754 H   0  0  0  0  0
    4.2575    2.1959    0.6754 H   0  0  0  0  0
    4.6844    1.6943   -0.9440 H   0  0  0  0  0
    6.5034   -0.6358   -0.3253 H   0  0  0  0  0
    7.9178    0.2231    0.2073 H   0  0  0  0  0
    7.9124    0.1716   -2.1984 H   0  0  0  0  0
    6.2781    0.8384   -2.3098 H   0  0  0  0  0
    7.5977    4.1205   -0.7630 H   0  0  0  0  0
    6.0448    3.4315   -1.2711 H   0  0  0  0  0
    7.7863    2.4879    1.0493 H   0  0  0  0  0
    6.2444    3.3033    1.1681 H   0  0  0  0  0
    9.8081    1.4252   -3.1476 H   0  0  0  0  0
   10.3893    2.0293   -5.4658 H   0  0  0  0  0
    8.9856    3.6453   -6.7286 H   0  0  0  0  0
    6.9886    4.6509   -5.6302 H   0  0  0  0  0
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  1  5  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 32  1  0  0  0
  3 33  1  0  0  0
  4  6  1  0  0  0
  4 12  1  0  0  0
  4  5  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
  6 37  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
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 15 16  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL299691

>  <PubChem CID>
9864325

>  <Formula>
C21H28FN3O2

>  <Molecular Weight>
373.472000

>  <IUPAC Name>
8-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC2(C1)CC(=O)N(C(=O)C2)CCN3CCN(CC3)C4=CC=CC=C4F

>  <Isomeric SMILES>
C1CCC2(C1)CC(=O)N(C(=O)C2)CCN3CCN(CC3)C4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2

>  <InChI Key>
CYDFRMLIERPUGG-UHFFFAOYSA-N

