
 CHEMBL124208

 56 60  0  0  0  0  0  0  0  0999 V2000
    0.6414    1.5082   -0.0507 C   0  0  0  0  0
    1.9876    1.0644   -0.6285 C   0  0  0  0  0
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    4.1007   -0.5450    2.1128 C   0  0  0  0  0
    4.5908   -0.0170    3.4290 C   0  0  0  0  0
    5.7484    0.7049    3.6442 C   0  0  0  0  0
    5.8260    1.0103    4.9760 N   0  0  0  0  0
    4.7357    0.5040    5.6449 C   0  0  0  0  0
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    3.2114   -0.0422    7.4056 C   0  0  0  0  0
    4.3974    0.5771    7.0030 C   0  0  0  0  0
    1.2784   -1.2854    6.8960 F   0  0  0  0  0
    0.2112    2.2603   -0.7239 H   0  0  0  0  0
    0.7980    1.9958    0.9191 H   0  0  0  0  0
    1.8483    0.7336   -1.6661 H   0  0  0  0  0
    2.6639    1.9259   -0.6913 H   0  0  0  0  0
    2.1768   -2.0089    0.7432 H   0  0  0  0  0
    1.5740   -1.5646   -0.8228 H   0  0  0  0  0
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    0.4646   -0.6482    1.8748 H   0  0  0  0  0
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   -4.2774   -0.0841    0.9917 H   0  0  0  0  0
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    2.2984    0.6663    2.1252 H   0  0  0  0  0
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    4.9563   -0.7262    1.4499 H   0  0  0  0  0
    3.6263   -1.5171    2.2856 H   0  0  0  0  0
    6.5220    1.0278    2.9596 H   0  0  0  0  0
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    2.9063   -0.0141    8.4475 H   0  0  0  0  0
    5.0283    1.0925    7.7199 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
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  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
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M  END

>  <Chemical Name>
CHEMBL124208

>  <PubChem CID>
9887650

>  <Formula>
C24H26FN3O2

>  <Molecular Weight>
407.489000

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

>  <XlogP>
4.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C24H26FN3O2/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-27-12-9-24(10-13-27)17-28(23(29)30-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2

>  <InChI Key>
KSQAOYHTDJHQEM-UHFFFAOYSA-N

