Molecule FYI-1007130

A

Molecule Summary:

ID: FYI-1007130
Names:
InChIKey: KLCLCXSYOBXGCO-UHFFFAOYSA-N
SMILES: Cc2cc(C(=O)NCC(=O)N1CCC(F)C1)sc2c3ccccc3

Received at FYIcenter.com on: 2024-02-02

Molecule ID: FYI-1007130 Edit

Molecule Structure InChIKey: KLCLCXSYOBXGCO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(C(=O)NCC(=O)N1CCC(F)C1)sc2c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007130
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.9807    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5883    2.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8883    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8501    5.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4195    6.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5966    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2043    7.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6348    6.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5189    3.4923    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3726    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1602    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9477    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6515    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  5  1  0  0  0  0
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 10  3  1  0  0  0  0
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 23 12  2  0  0  0  0
 24 11  2  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007130-3D
FYIcenter.com

 43 45  0  0  1  0  0  0  0  0999 V2000
    2.5786   -0.1598   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0955    0.0370    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022    1.3447   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    1.3409   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240    2.5295   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2485    3.6637   -0.1404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0973    2.3632   -0.0914 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9734    3.5259   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4584    3.1466   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9768    5.3239   -1.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1490    5.6893   -2.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9811    4.4196   -2.4347 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.5120    3.6680   -3.4708 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6982    3.6928   -1.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1208   -0.9617    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2729   -2.4394    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6343   -3.2993   -0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  2  0  0  0  0
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  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
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  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
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 19 24  2  0  0  0  0
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 20 39  1  0  0  0  0
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 22 41  1  0  0  0  0
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 24 43  1  0  0  0  0
M  END
$$$$

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2024-02-11, 574👍, 0💬