
 CHEMBL57364

 55 58  0  0  0  0  0  0  0  0999 V2000
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    2.4092    2.1493    1.7085 O   0  0  0  0  0
    3.5628    0.1445    1.6878 N   0  0  0  0  0
    3.9380   -1.0489    2.2978 C   0  0  0  0  0
    4.4681   -1.9865    1.6978 O   0  0  0  0  0
    3.6949   -1.1689    3.7877 C   0  0  0  0  0
    3.7960    0.2798    0.2493 C   0  0  0  0  0
    4.8111    1.3897   -0.1136 C   0  0  0  0  0
    6.1159    1.3047    0.5745 N   0  0  0  0  0
    6.9193    0.1359    0.1612 C   0  0  0  0  0
    7.4226    0.1491   -1.2996 C   0  0  0  0  0
    8.0937    1.4172   -1.6779 N   0  0  0  0  0
    7.4401    2.6466   -1.1639 C   0  0  0  0  0
    6.9369    2.5026    0.2929 C   0  0  0  0  0
    8.6530    1.4882   -2.9737 C   0  0  0  0  0
    8.8208    0.3517   -3.7885 C   0  0  0  0  0
    9.3930    0.4299   -5.0648 C   0  0  0  0  0
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    9.1340    2.6985   -3.5124 C   0  0  0  0  0
    9.5553   -0.9980   -6.0155 Cl  0  0  0  0  0
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    0.4030    0.3299    6.1196 H   0  0  0  0  0
    0.8431   -2.5359    5.1348 H   0  0  0  0  0
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    1.2469   -1.6104    2.9630 H   0  0  0  0  0
    0.5146   -0.0680    3.4072 H   0  0  0  0  0
    2.7941    0.4985    6.3196 H   0  0  0  0  0
    2.9918   -1.2517    6.2151 H   0  0  0  0  0
    1.9249    1.7455    4.1300 H   0  0  0  0  0
    3.6723    1.5088    4.2478 H   0  0  0  0  0
    3.5245   -2.2289    4.0155 H   0  0  0  0  0
    4.6220   -0.8685    4.2918 H   0  0  0  0  0
    2.8356    0.5214   -0.2237 H   0  0  0  0  0
    4.1208   -0.6703   -0.1872 H   0  0  0  0  0
    4.3575    2.3541    0.1448 H   0  0  0  0  0
    4.9266    1.3987   -1.2036 H   0  0  0  0  0
    6.3725   -0.7939    0.3429 H   0  0  0  0  0
    7.7937    0.0824    0.8247 H   0  0  0  0  0
    8.1270   -0.6868   -1.3834 H   0  0  0  0  0
    6.5800   -0.0405   -1.9763 H   0  0  0  0  0
    8.1455    3.4838   -1.1486 H   0  0  0  0  0
    6.6037    2.9192   -1.8193 H   0  0  0  0  0
    7.8101    2.4768    0.9593 H   0  0  0  0  0
    6.3859    3.4080    0.5773 H   0  0  0  0  0
    8.5065   -0.6309   -3.4545 H   0  0  0  0  0
   10.2780    1.7052   -6.5614 H   0  0  0  0  0
   10.0589    3.7406   -5.1631 H   0  0  0  0  0
    9.0940    3.6230   -2.9455 H   0  0  0  0  0
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  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
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  5 35  1  0  0  0
  6  7  1  0  0  0
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  7  9  1  0  0  0
  7  8  2  0  0  0
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  9 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL57364

>  <PubChem CID>
12840735

>  <Formula>
C21H28ClN3O2

>  <Molecular Weight>
389.924000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C21H28ClN3O2/c22-17-4-3-5-18(14-17)24-11-8-23(9-12-24)10-13-25-19(26)15-21(16-20(25)27)6-1-2-7-21/h3-5,14H,1-2,6-13,15-16H2

>  <InChI Key>
ATIJQZLSMDZBIR-UHFFFAOYSA-N

