Molecule FYI-1004262

A

Molecule Summary:

ID: FYI-1004262
Names:
InChIKey: BYOBHPAJSXZBSI-UHFFFAOYSA-N
SMILES: Cc3ccc(N(CC(=O)NC1CCCCC1)C(=O)Cc2ccc(C(=O)NO)cc2)cc3

Received at FYIcenter.com on: 2023-08-24

Molecule ID: FYI-1004262 Edit

Molecule Structure InChIKey: BYOBHPAJSXZBSI-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccc(N(CC(=O)NC1CCCCC1)C(=O)Cc2ccc(C(=O)NO)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004262
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    8.4871    7.7000    0.0000 O   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
    9.6996    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
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 25 14  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 31 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004262-3D
FYIcenter.com

 60 62  0  0  0  0  0  0  0  0999 V2000
    2.4619    0.5660    0.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9895    0.3102    0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2217   -0.2132    1.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1673   -0.3713    1.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8176    0.0350    0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2561    0.0176    0.1175 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598   -1.3239    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9682   -1.7189    0.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8454   -2.5168    0.6661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   -1.2481    2.2841 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7699   -1.6534    3.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4186    1.1207   -0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7665   -0.1497   -2.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
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 31 60  1  0  0  0  0
M  END
$$$$

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2023-09-16, 557👍, 0💬