Molecule Editor

Molecule ID: FYI-1007415 Edit

Molecule Structure InChIKey: IVMHUPZOHKZLPZ-JHYFKHSXSA-N

Molecule Structure SMILES String: Cc5nc([C@@H]3O[C@H](CO)[C@H](O)C(n2cc(c1cc(F)c(F)c(F)c1)nn2)[C@H]3O)n(c4cc(Cl)ccc4Cl)n5

Download SDF Download SVG Structure in 2D SDF:

FYI-1007415
FYIcenter.com

 38 42  0  0  1  0  0  0  0  0999 V2000
   11.1634   11.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7711   11.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8343   10.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5553   11.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3429   10.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1305   11.1777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9181   10.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055   11.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931   10.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9181    9.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055    8.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1305    8.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3429    9.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5553    8.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6612   13.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3298   13.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2893   14.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9579   13.5782    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5804   15.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9119   15.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9523   14.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2838   15.3088    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0711   12.8610    0.0000 N   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  2  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  0  0  0  0
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 21 20  1  0  0  0  0
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 23 22  1  0  0  0  0
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 26 25  2  0  0  0  0
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 27 28  1  6  0  0  0
 29  4  1  0  0  0  0
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 37 36  1  0  0  0  0
 38 29  1  0  0  0  0
 38  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007415-3D
FYIcenter.com

 57 61  0  0  1  0  0  0  0  0999 V2000
    2.3473    0.9055    1.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2848    0.1759    0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0957   -0.8347    0.7704 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7998   -1.1559   -0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0818   -1.9328   -0.3058 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9925   -3.1404   -1.0639 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5307   -4.3341   -0.4344 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0141   -4.3499   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2861   -4.0615   -1.3498 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3874   -4.6627    0.7843 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9190   -5.8833    1.3515 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3811   -3.4616    1.7485 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2232   -3.7481    2.9047 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5636   -3.9922    2.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8289   -4.2498    4.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1500   -4.4881    4.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2824   -3.9048    4.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500   -4.1582    4.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6147   -3.5855    4.1350 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7072   -4.9807    5.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9323   -5.2149    6.3147 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$