
 CHEMBL1258036

 67 71  0  0  0  0  0  0  0  0999 V2000
    1.5703   -1.6580   -0.9158 C   0  0  0  0  0
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   -5.3266    2.2735   10.3743 C   0  0  0  0  0
   -6.9964    4.4273   12.7655 F   0  0  0  0  0
    1.5441   -2.7284   -0.6733 H   0  0  0  0  0
    2.3766   -1.5422   -1.6521 H   0  0  0  0  0
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    1.6652   -1.4339    1.2544 H   0  0  0  0  0
    0.0025   -0.0049    2.0752 H   0  0  0  0  0
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    1.1791   -0.2183   -3.2254 H   0  0  0  0  0
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    0.9105    3.1330   -1.6288 H   0  0  0  0  0
    2.5634    1.4348   -1.0521 H   0  0  0  0  0
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   -4.9442    1.2565   10.3146 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3 16  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  5  6  2  0  0  0
  5 17  1  0  0  0
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  6  7  1  0  0  0
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  7 40  1  0  0  0
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  8  9  1  0  0  0
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  8 43  1  0  0  0
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 31 34  1  0  0  0
 32 33  2  0  0  0
 32 66  1  0  0  0
 33 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1258036

>  <PubChem CID>
49782836

>  <Formula>
C30H33FN2O

>  <Molecular Weight>
456.605000

>  <IUPAC Name>


>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)N4CCN(CC4)CCCC(=O)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)N4CCN(CC4)CCCC(=O)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C30H33FN2O/c31-28-15-13-27(14-16-28)30(34)2-1-17-32-18-20-33(21-19-32)29-22-25-8-7-23-3-5-24(6-4-23)9-11-26(29)12-10-25/h3-6,10,12-16,22H,1-2,7-9,11,17-21H2

>  <InChI Key>
FMZYTGKVWBHUEI-UHFFFAOYSA-N

