Molecule Editor

Molecule ID: FYI-1004589 Edit

Molecule Structure InChIKey: XITXRTGBKHJSCL-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004589
FYIcenter.com

 40 44  0  0  0  0  0  0  0  0999 V2000
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    6.0621   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6289    8.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0615   10.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2595    8.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580    9.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2746    0.7000    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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 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
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 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
 29 27  1  0  0  0  0
 30 26  1  0  0  0  0
 31 30  2  0  0  0  0
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 37 20  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004589-3D
FYIcenter.com

 72 76  0  0  0  0  0  0  0  0999 V2000
    7.8691  -10.6539  -14.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2359   -8.0072  -11.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5402   -9.2533   -9.7685 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3483   -8.7319   -9.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3957   -6.2095   -8.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1869   -5.0716   -6.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5894   -3.9298   -6.2559 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9923   -2.6840   -6.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7131   -2.3384   -7.9897 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2037   -1.1856   -8.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9706   -0.3168   -7.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5132    0.8866   -8.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3806    0.8106   -9.7744 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8774    2.0354   -8.0732 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8388    1.0801   -8.1982 F   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9480   -1.6094   -0.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$