Molecule Editor

Molecule ID: FYI-1004608 Edit

Molecule Structure InChIKey: IGRXJJDSMNLZAP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1nccn1Cc5ccc(Nc4ncc(F)c(c3cc(F)c2nc(C)n(C(C)C)c2c3)n4)nc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004608
FYIcenter.com

 36 40  0  0  0  0  0  0  0  0999 V2000
    2.9361    0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2550    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6191    0.3149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0284    1.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0736    2.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7095    2.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3926    1.9687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8019    3.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1660    3.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5171    3.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6640    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004608-3D
FYIcenter.com

 62 66  0  0  0  0  0  0  0  0999 V2000
   -0.2873    5.7673    6.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3645    4.4355    6.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6629    4.3319    8.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240    4.8082    9.2109 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5324    4.5658    9.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9288    3.7735    7.9458 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7176    3.1221    6.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0963    2.9903    5.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2406    3.9860    4.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946    3.9211    3.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8330    3.8097    1.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8954    3.4321    0.6223 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    4.3425   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$