
 CHEMBL128329

 47 51  0  0  0  0  0  0  0  0999 V2000
   -0.8921   -0.5890   -0.1157 C   0  0  0  0  0
   -0.8539    0.5381    0.9045 C   0  0  0  0  0
    0.3883    1.3377    0.5532 C   0  0  0  0  0
    1.2893    0.3219   -0.0073 N   0  0  0  0  0
    0.4201   -0.4832   -0.8817 C   0  0  0  0  0
    2.4491    0.9028   -0.7331 C   0  0  0  0  0
    3.3157    1.8088    0.1810 C   0  0  0  0  0
    4.0159    1.0131    1.2907 C   0  0  0  0  0
    4.8506   -0.1252    0.6880 C   0  0  0  0  0
    4.8515   -0.0257   -0.8510 C   0  0  0  0  0
    3.3841   -0.2186   -1.3386 C   0  0  0  0  0
    3.3057   -0.3468   -2.8477 C   0  0  0  0  0
    3.0823    0.6502   -3.7806 C   0  0  0  0  0
    3.0896    0.0911   -5.0299 N   0  0  0  0  0
    3.3410   -1.2562   -4.9462 C   0  0  0  0  0
    3.4545   -2.2152   -5.9598 C   0  0  0  0  0
    3.7329   -3.5306   -5.5792 C   0  0  0  0  0
    3.8882   -3.8702   -4.2379 C   0  0  0  0  0
    3.7648   -2.8990   -3.2373 C   0  0  0  0  0
    3.4849   -1.5626   -3.5932 C   0  0  0  0  0
    5.3839    1.3613   -1.2487 C   0  0  0  0  0
    4.4069    2.3817   -0.7087 C   0  0  0  0  0
    4.4860    3.5771   -0.9776 O   0  0  0  0  0
   -0.9781   -1.5549    0.3947 H   0  0  0  0  0
   -1.7485   -0.4879   -0.7906 H   0  0  0  0  0
   -0.7673    0.1198    1.9145 H   0  0  0  0  0
   -1.7590    1.1526    0.8725 H   0  0  0  0  0
    0.1402    2.1098   -0.1864 H   0  0  0  0  0
    0.7982    1.8207    1.4451 H   0  0  0  0  0
    0.2407    0.0164   -1.8421 H   0  0  0  0  0
    0.8298   -1.4783   -1.0793 H   0  0  0  0  0
    2.0536    1.5385   -1.5355 H   0  0  0  0  0
    2.7472    2.6431    0.6042 H   0  0  0  0  0
    4.6761    1.6774    1.8627 H   0  0  0  0  0
    3.2877    0.6081    2.0023 H   0  0  0  0  0
    5.8759   -0.0773    1.0741 H   0  0  0  0  0
    4.4442   -1.0932    1.0052 H   0  0  0  0  0
    5.5032   -0.8040   -1.2654 H   0  0  0  0  0
    3.0621   -1.1885   -0.9331 H   0  0  0  0  0
    2.9167    1.7142   -3.6704 H   0  0  0  0  0
    2.9453    0.5944   -5.8944 H   0  0  0  0  0
    3.3364   -1.9527   -7.0060 H   0  0  0  0  0
    3.8315   -4.2986   -6.3429 H   0  0  0  0  0
    4.1083   -4.8987   -3.9629 H   0  0  0  0  0
    3.8900   -3.1778   -2.1954 H   0  0  0  0  0
    5.4574    1.4694   -2.3339 H   0  0  0  0  0
    6.3678    1.5436   -0.8046 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 21  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 12 20  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL128329

>  <PubChem CID>
44351463

>  <Formula>
C20H24N2O

>  <Molecular Weight>
308.425000

>  <IUPAC Name>
2-(1H-indol-3-yl)-3-pyrrolidin-1-ylbicyclo[2.2.2]octan-5-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN(C1)C2C3CCC(C2C4=CNC5=CC=CC=C54)CC3=O

>  <Isomeric SMILES>
C1CCN(C1)C2C3CCC(C2C4=CNC5=CC=CC=C54)CC3=O

>  <InChI Std. ID>
InChI=1S/C20H24N2O/c23-18-11-13-7-8-15(18)20(22-9-3-4-10-22)19(13)16-12-21-17-6-2-1-5-14(16)17/h1-2,5-6,12-13,15,19-21H,3-4,7-11H2

>  <InChI Key>
MNUMPEVJOGZKBX-UHFFFAOYSA-N

