Molecule Editor

Molecule ID: FYI-1004592 Edit

Molecule Structure InChIKey: BJHGUIKRVANYBV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN5CCN(Cc4ccc(Nc3ncc(C(F)F)c(c2cc(F)c1nc(C)n(C(C)C)c1c2)n3)nc4)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004592
FYIcenter.com

 39 43  0  0  0  0  0  0  0  0999 V2000
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    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9580    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657    7.6693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6289    8.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2595    8.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
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 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
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 30 26  1  0  0  0  0
 31 30  2  0  0  0  0
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 33 32  1  0  0  0  0
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 36 31  1  0  0  0  0
 37 20  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004592-3D
FYIcenter.com

 72 76  0  0  0  0  0  0  0  0999 V2000
   10.5417   -4.1265   -3.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6230   -3.0189    1.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0277   -7.4335    5.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9966  -11.1051    4.9984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8026  -12.1900    5.1650 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0338  -11.2235    5.9573 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4475   -9.2209    4.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$