Molecule Editor

Molecule ID: FYI-1013294 Edit

Molecule Structure InChIKey: USOCZVZOXKTJTI-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)Nc4cc(Nc3nccc(c1cn(CC(F)(F)F)c2ccccc12)n3)c(OC)cc4N(C)CCN(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1013294
FYIcenter.com

 41 44  0  0  0  0  0  0  0  0999 V2000
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    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4034   10.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401   11.6710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7326   11.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4228   13.4802    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.3783   13.7899    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
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 19 13  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 10  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27  8  1  0  0  0  0
 28  6  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30  4  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
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 37 31  1  0  0  0  0
 38 28  1  0  0  0  0
 39 38  1  0  0  0  0
 40  2  1  0  0  0  0
 41 40  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013294-3D
FYIcenter.com

 73 76  0     1  0  0  0  0  0999 V2000
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    4.8069    0.8919   -0.9465 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.2295    2.3286    2.1684 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0514   -3.2396   -0.4009 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9463   -4.4385   -0.1224 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2284   -0.5953   -0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0170    1.3504    1.1090 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
$$$$