
 CHEMBL56150

 55 58  0  0  0  0  0  0  0  0999 V2000
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    1.5870    4.8816    0.7949 C   0  0  0  0  0
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    4.1148    0.8411    3.3818 O   0  0  0  0  0
    3.6260    0.7152    1.1268 N   0  0  0  0  0
    2.8479    1.0638    0.0216 C   0  0  0  0  0
    3.1646    0.7776   -1.1357 O   0  0  0  0  0
    1.5426    1.7841    0.2907 C   0  0  0  0  0
    4.9023    0.0497    0.8536 C   0  0  0  0  0
    5.9816    1.0493    0.3821 C   0  0  0  0  0
    7.3025    0.4528    0.0902 N   0  0  0  0  0
    7.2668   -0.5554   -0.9879 C   0  0  0  0  0
    6.8729   -0.0188   -2.3810 C   0  0  0  0  0
    7.6851    1.1558   -2.7985 N   0  0  0  0  0
    7.9576    2.1409   -1.7202 C   0  0  0  0  0
    8.2636    1.4919   -0.3480 C   0  0  0  0  0
    7.3598    1.6752   -4.0736 C   0  0  0  0  0
    7.3933    3.0508   -4.3685 C   0  0  0  0  0
    7.0369    3.5555   -5.6303 C   0  0  0  0  0
    6.6579    2.6855   -6.6497 C   0  0  0  0  0
    6.6582    1.3167   -6.4057 C   0  0  0  0  0
    7.0151    0.8261   -5.1421 C   0  0  0  0  0
    6.1912    3.2298   -8.2198 Cl  0  0  0  0  0
    7.0814    5.2713   -5.8497 Cl  0  0  0  0  0
   -0.4158    4.3791    0.1488 H   0  0  0  0  0
   -0.3727    5.2938    1.6569 H   0  0  0  0  0
    1.7714    4.8445   -0.2850 H   0  0  0  0  0
    1.8231    5.8966    1.1300 H   0  0  0  0  0
    3.3917    3.6816    1.0002 H   0  0  0  0  0
    2.6723    4.2107    2.5241 H   0  0  0  0  0
    0.0700    3.4335    2.9464 H   0  0  0  0  0
   -0.6541    2.5417    1.6072 H   0  0  0  0  0
    2.0143    2.1679    3.6694 H   0  0  0  0  0
    1.2666    0.8126    2.8174 H   0  0  0  0  0
    1.3374    2.4326   -0.5686 H   0  0  0  0  0
    0.7564    1.0187    0.3153 H   0  0  0  0  0
    4.7167   -0.7077    0.0846 H   0  0  0  0  0
    5.2523   -0.4791    1.7473 H   0  0  0  0  0
    6.1117    1.7923    1.1804 H   0  0  0  0  0
    5.5965    1.6040   -0.4801 H   0  0  0  0  0
    6.6125   -1.3903   -0.7151 H   0  0  0  0  0
    8.2673   -1.0049   -1.0608 H   0  0  0  0  0
    7.0195   -0.8562   -3.0709 H   0  0  0  0  0
    5.8081    0.2439   -2.3902 H   0  0  0  0  0
    8.8327    2.7449   -1.9915 H   0  0  0  0  0
    7.1006    2.8158   -1.6042 H   0  0  0  0  0
    9.2619    1.0354   -0.3924 H   0  0  0  0  0
    8.3377    2.2758    0.4161 H   0  0  0  0  0
    7.6815    3.7751   -3.6134 H   0  0  0  0  0
    6.3847    0.6158   -7.1903 H   0  0  0  0  0
    7.0264   -0.2536   -5.0256 H   0  0  0  0  0
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  1 30  1  0  0  0
  2  3  1  0  0  0
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  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  6  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  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>
CHEMBL56150

>  <PubChem CID>
11350756

>  <Formula>
C21H27Cl2N3O2

>  <Molecular Weight>
424.366000

>  <IUPAC Name>
8-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C21H27Cl2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2

>  <InChI Key>
AXWMVVQSGDHICA-UHFFFAOYSA-N

