Molecule FYI-1006288

A

Molecule Summary:

ID: FYI-1006288
Names:
InChIKey: BTMAGCJFZAIFOH-UHFFFAOYSA-N
SMILES: O=C4CCC(n3c(=O)c2ccc(CNC(=O)Nc1ccccc1Cl)cc2c3=O)C(=O)N4

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

Molecule ID: FYI-1006288 Edit

Molecule Structure InChIKey: BTMAGCJFZAIFOH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C4CCC(n3c(=O)c2ccc(CNC(=O)Nc1ccccc1Cl)cc2c3=O)C(=O)N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006288
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   12.9704    7.0655    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.9704    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1829    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1829   10.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9704   11.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7580   10.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7580    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3331    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331   10.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9083    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6959    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1923    4.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1291    3.9557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835    6.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6959    7.0655    0.0000 C   0  0  0  0  0  0  0  0  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 23  1  0  0  0  0
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 28 19  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 30 16  1  0  0  0  0
 31 30  2  0  0  0  0
 31 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006288-3D
FYIcenter.com

 48 51  0     1  0  0  0  0  0999 V2000
    6.8907   -0.0524    2.4349 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5033    2.1905    0.9194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0777    0.2445   -2.3630 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0968    2.0866    0.6159 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4155   -0.4321   -1.6270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2349   -0.1977   -0.3594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7967    2.0880    0.7654 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2166   -2.1479   -0.0898 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8094   -0.5279    0.2595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4441    0.5486   -0.5852 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -1.1903   -1.1282   -0.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990   -0.2693   -1.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6651   -1.5217    0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0119    1.6062    0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0406   -1.5338   -1.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9343   -2.3420    1.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7987   -2.3662   -0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3159   -2.7664    0.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8142    3.7786   -0.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
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 31 48  1  0  0  0  0
M  END
$$$$

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2023-12-14, 1602👍, 0💬