
 CHEMBL60699

 74 78  0  0  0  0  0  0  0  0999 V2000
   10.0286    0.3345  -10.7607 C   0  0  0  0  0
    9.7530   -0.3431   -9.5437 O   0  0  0  0  0
   10.5334   -1.4327   -9.2295 C   0  0  0  0  0
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   12.0346   -3.6818   -8.4907 C   0  0  0  0  0
   10.9606   -3.2629   -7.7032 C   0  0  0  0  0
   10.1860   -2.1372   -8.0457 C   0  0  0  0  0
    9.1184   -1.6876   -7.2239 N   0  0  0  0  0
    9.5234   -0.5011   -6.4334 C   0  0  0  0  0
    8.3850   -0.0023   -5.5063 C   0  0  0  0  0
    7.7447   -1.0463   -4.6622 N   0  0  0  0  0
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    9.8157   -4.6298   -3.3050 O   0  0  0  0  0
    9.3033    1.1472  -10.8638 H   0  0  0  0  0
    9.9062   -0.3302  -11.6223 H   0  0  0  0  0
   11.0273    0.7834  -10.7447 H   0  0  0  0  0
   11.9034   -1.3484  -10.9221 H   0  0  0  0  0
   13.1971   -3.3075  -10.2574 H   0  0  0  0  0
   12.6158   -4.5500   -8.1918 H   0  0  0  0  0
   10.7659   -3.8247   -6.7954 H   0  0  0  0  0
    9.7968    0.3308   -7.0932 H   0  0  0  0  0
   10.4081   -0.7379   -5.8289 H   0  0  0  0  0
    8.7610    0.8091   -4.8708 H   0  0  0  0  0
    7.6027    0.4543   -6.1279 H   0  0  0  0  0
    6.7484   -2.8912   -5.0456 H   0  0  0  0  0
    6.5081   -1.6594   -6.2479 H   0  0  0  0  0
    9.0370   -3.3047   -5.8210 H   0  0  0  0  0
    7.9117   -3.4171   -7.1825 H   0  0  0  0  0
    9.0552   -0.6820   -3.0647 H   0  0  0  0  0
    9.5987   -1.9674   -4.1144 H   0  0  0  0  0
    7.6937   -3.4231   -3.1771 H   0  0  0  0  0
    7.3125   -2.1039   -2.0738 H   0  0  0  0  0
   10.8530   -2.0419    0.9466 H   0  0  0  0  0
    9.8951   -3.5156    1.0900 H   0  0  0  0  0
   11.8714   -2.0824   -1.7819 H   0  0  0  0  0
   13.0313   -3.3848   -1.8882 H   0  0  0  0  0
   14.0888   -1.3424   -1.0254 H   0  0  0  0  0
   12.9155   -1.1974    0.2410 H   0  0  0  0  0
   14.0393   -4.0925    2.1652 H   0  0  0  0  0
   12.8880   -2.7848    2.1195 H   0  0  0  0  0
   12.9590   -5.2404    0.3031 H   0  0  0  0  0
   11.7667   -4.8678    1.5216 H   0  0  0  0  0
   14.7420   -4.4155   -0.6929 H   0  0  0  0  0
   15.8541   -4.1538    0.6325 H   0  0  0  0  0
   17.0672   -1.6771    0.5202 H   0  0  0  0  0
   18.6684   -0.5360   -0.9850 H   0  0  0  0  0
   18.7449   -1.1155   -3.3954 H   0  0  0  0  0
   17.2179   -2.8469   -4.3032 H   0  0  0  0  0
   15.6216   -3.9961   -2.8174 H   0  0  0  0  0
   11.6362   -5.3104   -1.7336 H   0  0  0  0  0
   10.3199   -5.4549   -0.5654 H   0  0  0  0  0
  1  2  1  0  0  0
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 35 36  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL60699

>  <PubChem CID>
11191047

>  <Formula>
C29H38N4O3

>  <Molecular Weight>
490.648000

>  <IUPAC Name>
9-benzyl-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,9-diazaspiro[5.5]undecane-2,4-dione

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCN(CC4)CC5=CC=CC=C5)CC3=O

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCN(CC4)CC5=CC=CC=C5)CC3=O

>  <InChI Std. ID>
InChI=1S/C29H38N4O3/c1-36-26-10-6-5-9-25(26)32-18-15-30(16-19-32)17-20-33-27(34)21-29(22-28(33)35)11-13-31(14-12-29)23-24-7-3-2-4-8-24/h2-10H,11-23H2,1H3

>  <InChI Key>
CSAAHSGMWAZWDZ-UHFFFAOYSA-N

