
 CHEMBL122169

 56 60  0  0  0  0  0  0  0  0999 V2000
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    1.9233    0.9855   -0.6794 C   0  0  0  0  0
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    5.9921    1.1863    4.7345 N   0  0  0  0  0
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    3.4821    0.4520    7.3811 C   0  0  0  0  0
    4.6652    0.9852    6.8636 C   0  0  0  0  0
    1.4787   -0.7476    7.0847 F   0  0  0  0  0
    0.1368    2.1669   -0.7867 H   0  0  0  0  0
    0.7638    1.9798    0.8516 H   0  0  0  0  0
    1.7631    0.6139   -1.7001 H   0  0  0  0  0
    2.5949    1.8458   -0.7901 H   0  0  0  0  0
    2.1571   -2.0345    0.8004 H   0  0  0  0  0
    1.5102   -1.6465   -0.7626 H   0  0  0  0  0
   -0.2998   -1.7817    0.8417 H   0  0  0  0  0
    0.4744   -0.6277    1.9285 H   0  0  0  0  0
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    3.5343   -1.4514    2.3874 H   0  0  0  0  0
    6.5744    1.0043    2.6905 H   0  0  0  0  0
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    5.3547    1.5322    7.4985 H   0  0  0  0  0
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  1 32  1  0  0  0
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  2 35  1  0  0  0
  3  4  1  0  0  0
  3 20  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
  7  8  1  0  0  0
  7 40  1  0  0  0
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  8  9  1  0  0  0
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  9 11  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL122169

>  <PubChem CID>
10025437

>  <Formula>
C24H25F2N3O2

>  <Molecular Weight>
425.480000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C24H25F2N3O2/c25-19-3-1-17(2-4-19)15-29-16-24(31-23(29)30)8-11-28(12-9-24)10-7-18-14-27-22-6-5-20(26)13-21(18)22/h1-6,13-14,27H,7-12,15-16H2

>  <InChI Key>
DCGNOAVYFWPWHT-UHFFFAOYSA-N

