
 CHEMBL338825

 57 61  0  0  0  0  0  0  0  0999 V2000
    0.6449    1.4026   -0.1371 C   0  0  0  0  0
    2.0521    1.0705   -0.6416 C   0  0  0  0  0
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    5.6187    1.2626    5.1330 N   0  0  0  0  0
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    2.5961   -0.6075    5.1948 C   0  0  0  0  0
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    4.1090    0.8386    7.1018 C   0  0  0  0  0
    1.0554   -1.1214    6.9035 F   0  0  0  0  0
    0.1859    2.1312   -0.8175 H   0  0  0  0  0
    0.7236    1.8990    0.8383 H   0  0  0  0  0
    1.9951    0.7417   -1.6874 H   0  0  0  0  0
    2.6614    1.9824   -0.6618 H   0  0  0  0  0
    2.4146   -1.9945    0.7189 H   0  0  0  0  0
    1.8480   -1.5809   -0.8669 H   0  0  0  0  0
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    0.5649   -0.7657    1.7824 H   0  0  0  0  0
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   -0.1275   -0.6155   -2.0908 H   0  0  0  0  0
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    4.9796   -0.6078    1.6277 H   0  0  0  0  0
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    4.6905    1.3923    7.8331 H   0  0  0  0  0
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  1 31  1  0  0  0
  1 32  1  0  0  0
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  2 34  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
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  6 11  1  0  0  0
  6  7  1  0  0  0
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  7 39  1  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL338825

>  <PubChem CID>
10476440

>  <Formula>
C24H27FN4O

>  <Molecular Weight>
406.505000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC12CN(C(=O)N2)CC3=CC=CC=C3)CCC4=CNC5=C4C=C(C=C5)F

>  <Isomeric SMILES>
C1CN(CCC12CN(C(=O)N2)CC3=CC=CC=C3)CCC4=CNC5=C4C=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C24H27FN4O/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-28-12-9-24(10-13-28)17-29(23(30)27-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2,(H,27,30)

>  <InChI Key>
GRIDUXWKYXOBJN-UHFFFAOYSA-N

