Molecule Editor

Molecule ID: FYI-1004595 Edit

Molecule Structure InChIKey: FQBPPNVCSASUAE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN5CCN(Cc4ccc(Nc3ncc(OC(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-1004595
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
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    3.6373   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    7.9367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5657    9.0693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6289   10.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0615   11.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2595    9.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580   10.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 O   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
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    4.8496    0.7000    0.0000 F   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
  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
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 22 21  2  0  0  0  0
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 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
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 27 26  1  0  0  0  0
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 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
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004595-3D
FYIcenter.com

 73 77  0  0  0  0  0  0  0  0999 V2000
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    5.5824  -10.2528   -0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1478   -7.0462    5.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 73  1  0  0  0  0
M  END
$$$$