Molecule FYI-1007131

A

Molecule Summary:

ID: FYI-1007131
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-1007131 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-1007131
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
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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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 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-1007131-3D
FYIcenter.com

 43 45  0  0  1  0  0  0  0  0999 V2000
    2.5743   -0.1506   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0899    0.0410    0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5029    1.3471   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8764    1.3448   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7158    2.5358   -0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2342    3.6712   -0.1002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0813    2.3678   -0.0424 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9593    3.5231   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4301    3.1204   -0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9393    5.3072   -1.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.9633    4.4438   -2.4441 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.4770    3.7343   -3.5011 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6695    3.6837   -1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2571   -2.4337    0.0808 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
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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
  9 11  1  0  0  0  0
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 19 24  2  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, 355👍, 0💬