Molecule FYI-1006298

A

Molecule Summary:

ID: FYI-1006298
Names:
InChIKey: XVIIKLFZGSJDCQ-UHFFFAOYSA-N
SMILES: O=C5CCC(N4Cc3cc(CNC(=O)Nc1ccccc1c2ccccc2)ccc3C4=O)C(=O)N5

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006298 Edit

Molecule Structure InChIKey: XVIIKLFZGSJDCQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C5CCC(N4Cc3cc(CNC(=O)Nc1ccccc1c2ccccc2)ccc3C4=O)C(=O)N5

Download SDF Download SVG Structure in 2D SDF:

FYI-1006298
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.8499    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9906    6.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1829   11.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 11  8  1  0  0  0  0
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 14 13  1  0  0  0  0
 14  7  1  0  0  0  0
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 22 21  2  0  0  0  0
 23  2  1  0  0  0  0
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 35 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006298-3D
FYIcenter.com

 59 63  0     1  0  0  0  0  0999 V2000
   -4.2660   -2.5274   -1.6160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4743    1.5631   -1.7312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7697    2.6553   -0.4843 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7646    0.8900    2.1540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4466   -0.6705   -0.1658 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6142    2.0837   -1.0662 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0436   -1.3520    1.6583 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5549    0.1641    0.8207 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-12-17, 286👍, 0💬