Molecule FYI-1004225

A

Molecule Summary:

ID: FYI-1004225
Names:
InChIKey: ROHGHIYVJPPXKB-UHFFFAOYSA-N
SMILES: O=C(Nc4cccc(NC(=O)c2cccc3cc(OC(=O)c1ccccc1)ccc23)c4)c5ccccc5

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004225 Edit

Molecule Structure InChIKey: ROHGHIYVJPPXKB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc4cccc(NC(=O)c2cccc3cc(OC(=O)c1ccccc1)ccc23)c4)c5ccccc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004225
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.3554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.2554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3733    2.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6008    2.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6315    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8590    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0558    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0251    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7976    2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4737    4.1426    0.0000 O   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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 22 12  1  0  0  0  0
 22 16  2  0  0  0  0
 23  8  2  0  0  0  0
 23  4  1  0  0  0  0
 24  2  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
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 29 24  1  0  0  0  0
 19 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 30 37  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004225-3D
FYIcenter.com

 59 63  0  0  0  0  0  0  0  0999 V2000
   -1.4173    2.2550   -6.9250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1222    1.3890   -7.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9004    0.0152   -7.4161 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7960   -0.5993   -6.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4923   -1.7292   -5.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7162   -2.5109   -6.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0437   -3.8732   -6.7969 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9758   -4.6033   -6.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6768   -4.1607   -5.1616 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0791   -6.0666   -6.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011   -6.7572   -5.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517   -8.0310   -5.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532   -8.7189   -6.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -8.1706   -7.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6646   -8.9920   -8.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2076  -10.3659  -11.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6146   -9.8869  -12.0671 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
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  4 31  2  0  0  0  0
  5  6  2  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
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  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
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 36 58  1  0  0  0  0
 37 59  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1998👍, 0💬