
 CHEMBL57797

 53 55  0  0  0  0  0  0  0  0999 V2000
    7.3420   -1.3381   -0.7028 C   0  0  0  0  0
    6.2174   -0.6512   -0.0466 N   0  0  0  0  0
    4.9363   -1.0006   -0.7269 C   0  0  0  0  0
    4.4853   -2.4790   -0.6839 C   0  0  0  0  0
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    5.1520   -4.2036    0.9087 C   0  0  0  0  0
    5.8726   -4.7450    0.0676 O   0  0  0  0  0
    5.0705   -4.7936    2.3008 C   0  0  0  0  0
    3.7435   -4.5086    3.0084 C   0  0  0  0  0
    3.7738   -5.0050    4.4626 C   0  0  0  0  0
    3.5017   -6.5017    4.3694 C   0  0  0  0  0
    2.6543   -6.6936    3.1137 C   0  0  0  0  0
    2.5737   -5.3272    2.4331 C   0  0  0  0  0
    3.5019   -3.0077    2.9473 C   0  0  0  0  0
    3.4688   -2.5096    1.5247 C   0  0  0  0  0
    2.6444   -1.6596    1.1865 O   0  0  0  0  0
    6.3724    0.8271   -0.1805 C   0  0  0  0  0
    7.6366    1.3826    0.4700 C   0  0  0  0  0
    8.3970    2.1108   -0.1674 O   0  0  0  0  0
    7.7903    1.0256    1.7957 N   0  0  0  0  0
    8.7779    1.5270    2.6794 C   0  0  0  0  0
    9.1001    0.8050    3.8420 C   0  0  0  0  0
   10.0954    1.2618    4.7144 C   0  0  0  0  0
   10.7586    2.4615    4.4515 C   0  0  0  0  0
   10.4155    3.2027    3.3245 C   0  0  0  0  0
    9.4340    2.7436    2.4443 C   0  0  0  0  0
   11.2017    4.7037    3.0212 Cl  0  0  0  0  0
    8.3044   -0.6843    4.2183 Cl  0  0  0  0  0
    7.4301   -1.0707   -1.7620 H   0  0  0  0  0
    7.2373   -2.4244   -0.6296 H   0  0  0  0  0
    8.2898   -1.1014   -0.2075 H   0  0  0  0  0
    4.9801   -0.7001   -1.7834 H   0  0  0  0  0
    4.1425   -0.3930   -0.2770 H   0  0  0  0  0
    5.1333   -3.0740   -1.3356 H   0  0  0  0  0
    3.4783   -2.5439   -1.1167 H   0  0  0  0  0
    5.2406   -5.8734    2.2119 H   0  0  0  0  0
    5.9108   -4.3772    2.8703 H   0  0  0  0  0
    2.9756   -4.5306    5.0479 H   0  0  0  0  0
    4.7216   -4.7950    4.9691 H   0  0  0  0  0
    4.4427   -7.0552    4.2716 H   0  0  0  0  0
    2.9959   -6.8748    5.2655 H   0  0  0  0  0
    3.1222   -7.4312    2.4522 H   0  0  0  0  0
    1.6535   -7.0651    3.3588 H   0  0  0  0  0
    2.5993   -5.4223    1.3427 H   0  0  0  0  0
    1.6155   -4.8596    2.6942 H   0  0  0  0  0
    2.5473   -2.7509    3.4223 H   0  0  0  0  0
    4.2884   -2.4559    3.4767 H   0  0  0  0  0
    5.5296    1.3339    0.3069 H   0  0  0  0  0
    6.3780    1.1263   -1.2367 H   0  0  0  0  0
    7.2743    0.1979    2.0875 H   0  0  0  0  0
   10.3631    0.6874    5.5979 H   0  0  0  0  0
   11.5332    2.8154    5.1274 H   0  0  0  0  0
    9.1805    3.3623    1.5880 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2 17  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5 15  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 14  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
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 17 49  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
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 21 22  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL57797

>  <PubChem CID>
11316258

>  <Formula>
C20H25Cl2N3O3

>  <Molecular Weight>
426.338000

>  <IUPAC Name>
N-(2,5-dichlorophenyl)-2-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl-methylamino]acetamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CCN1C(=O)CC2(CCCC2)CC1=O)CC(=O)NC3=C(C=CC(=C3)Cl)Cl

>  <Isomeric SMILES>
CN(CCN1C(=O)CC2(CCCC2)CC1=O)CC(=O)NC3=C(C=CC(=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C20H25Cl2N3O3/c1-24(13-17(26)23-16-10-14(21)4-5-15(16)22)8-9-25-18(27)11-20(12-19(25)28)6-2-3-7-20/h4-5,10H,2-3,6-9,11-13H2,1H3,(H,23,26)

>  <InChI Key>
CRMNYGHOWIXDED-UHFFFAOYSA-N

