
 CHEMBL340405

 55 59  0  0  0  0  0  0  0  0999 V2000
    0.6087    1.4760   -0.0512 C   0  0  0  0  0
    1.9679    1.0555   -0.6176 C   0  0  0  0  0
    2.6169   -0.0214    0.1459 N   0  0  0  0  0
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   -2.0766   -0.0438   -1.3727 C   0  0  0  0  0
   -2.6765   -0.3681   -2.3827 O   0  0  0  0  0
   -0.7266   -0.1670   -1.2190 O   0  0  0  0  0
   -4.0442    0.5982    0.0002 C   0  0  0  0  0
   -4.6330   -0.6625    0.5799 C   0  0  0  0  0
   -4.7182   -0.8557    1.9616 C   0  0  0  0  0
   -5.2486   -2.0464    2.4352 C   0  0  0  0  0
   -5.6934   -3.0409    1.6393 N   0  0  0  0  0
   -5.5970   -2.8396    0.3078 C   0  0  0  0  0
   -5.0780   -1.6877   -0.2612 C   0  0  0  0  0
    3.1124    0.4467    1.4533 C   0  0  0  0  0
    4.0928   -0.5276    2.1322 C   0  0  0  0  0
    4.6135    0.0244    3.4264 C   0  0  0  0  0
    5.7820    0.7398    3.6006 C   0  0  0  0  0
    5.8923    1.0720    4.9234 N   0  0  0  0  0
    4.8128    0.5900    5.6269 C   0  0  0  0  0
    3.9944   -0.0787    4.7138 C   0  0  0  0  0
    2.8093   -0.6772    5.1855 C   0  0  0  0  0
    2.4986   -0.5771    6.5412 C   0  0  0  0  0
    3.3249    0.0941    7.4330 C   0  0  0  0  0
    4.5065    0.6942    6.9905 C   0  0  0  0  0
    1.3704   -1.1418    6.9937 F   0  0  0  0  0
    0.1687    2.2171   -0.7301 H   0  0  0  0  0
    0.7510    1.9704    0.9174 H   0  0  0  0  0
    1.8420    0.7215   -1.6559 H   0  0  0  0  0
    2.6292    1.9288   -0.6765 H   0  0  0  0  0
    2.2026   -2.0117    0.7646 H   0  0  0  0  0
    1.5961   -1.5820   -0.8039 H   0  0  0  0  0
   -0.2568   -1.7946    0.7413 H   0  0  0  0  0
    0.4666   -0.6652    1.8871 H   0  0  0  0  0
   -1.6646    1.6959    1.1345 H   0  0  0  0  0
   -1.8751    0.0042    1.6362 H   0  0  0  0  0
   -4.5425    0.8253   -0.9502 H   0  0  0  0  0
   -4.2214    1.4528    0.6634 H   0  0  0  0  0
   -4.3777   -0.1009    2.6618 H   0  0  0  0  0
   -5.3304   -2.2384    3.5013 H   0  0  0  0  0
   -5.9571   -3.6555   -0.3127 H   0  0  0  0  0
   -5.0175   -1.5961   -1.3423 H   0  0  0  0  0
    2.2870    0.6782    2.1370 H   0  0  0  0  0
    3.6519    1.3920    1.3028 H   0  0  0  0  0
    4.9346   -0.7334    1.4589 H   0  0  0  0  0
    3.6106   -1.4901    2.3353 H   0  0  0  0  0
    6.5432    1.0402    2.8923 H   0  0  0  0  0
    6.6548    1.5962    5.3302 H   0  0  0  0  0
    2.1431   -1.2132    4.5190 H   0  0  0  0  0
    3.0443    0.1464    8.4808 H   0  0  0  0  0
    5.1584    1.2184    7.6819 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 15 16  2  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
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 17 45  1  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
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 20 21  1  0  0  0
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 29 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL340405

>  <PubChem CID>
10001491

>  <Formula>
C23H25FN4O2

>  <Molecular Weight>
408.477000

>  <IUPAC Name>
8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(pyridin-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC12CN(C(=O)O2)CC3=CC=NC=C3)CCC4=CNC5=C4C=C(C=C5)F

>  <Isomeric SMILES>
C1CN(CCC12CN(C(=O)O2)CC3=CC=NC=C3)CCC4=CNC5=C4C=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C23H25FN4O2/c24-19-1-2-21-20(13-19)18(14-26-21)5-10-27-11-6-23(7-12-27)16-28(22(29)30-23)15-17-3-8-25-9-4-17/h1-4,8-9,13-14,26H,5-7,10-12,15-16H2

>  <InChI Key>
IACYSTWKDNTUMD-UHFFFAOYSA-N

