Molecule FYI-1007537

A

Molecule Summary:

ID: FYI-1007537
Names:
InChIKey: BCEGKGRFOTXDMK-UHFFFAOYSA-N
SMILES: Cc1ccccc1C(=O)Nc4ccc3nc(SCS(=O)(=O)Nc2ccc(F)cc2)sc3c4

Received at FYIcenter.com on: 2024-02-28

Molecule ID: FYI-1007537 Edit

Molecule Structure InChIKey: BCEGKGRFOTXDMK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1C(=O)Nc4ccc3nc(SCS(=O)(=O)Nc2ccc(F)cc2)sc3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007537
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   16.1152    8.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4152    6.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1152    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5152    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2152    6.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2152    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5152    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1152    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4152    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9152    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    4.1923    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007537-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.4156    0.2911   -0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790    0.0622   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1748    1.1982    0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849    1.0819    0.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7692   -0.1744    0.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9906   -1.3094    0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3831   -1.2117    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0511   -2.5135   -0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3819   -3.3395   -0.9319 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290   -2.7270    0.1839 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0852   -3.9245    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5837   -6.3369   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3762   -7.4782    0.0119 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971   -7.3143    0.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3913   -8.5934    1.3999 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4329   -9.6301   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4453  -11.1235    0.1176 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7998  -10.7189    0.4437 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7436  -12.0864    0.9379 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5801  -11.7288   -1.4640 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6760  -12.7604   -1.8539 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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 32 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 177👍, 0💬