Molecule FYI-1003022

A

Molecule Summary:

ID: FYI-1003022
Names:
InChIKey: TXDRCMOAAZKLFD-UHFFFAOYSA-N
SMILES: CS(=O)(=O)c2c(F)c(F)c(SCCc1ccc(C(=O)O)cc1)c(F)c2NC3CCCCCCC3

Received at FYIcenter.com on: 2023-05-06

Molecule ID: FYI-1003022 Edit

Molecule Structure InChIKey: TXDRCMOAAZKLFD-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)c2c(F)c(F)c(SCCc1ccc(C(=O)O)cc1)c(F)c2NC3CCCCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003022
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
   10.9119    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5076    7.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0434    6.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
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 15  7  1  0  0  0  0
 16  3  1  0  0  0  0
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 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
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 22 21  2  0  0  0  0
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 25  2  1  0  0  0  0
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 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 34 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003022-3D
FYIcenter.com

 62 64  0  0  0  0  0  0  0  0999 V2000
    3.9424   -0.9859    0.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7531   -0.0337   -0.0482 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5092   -0.7730   -0.1138 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7729    1.2995    0.5296 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034    0.0605   -1.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5275   -1.1501   -2.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1763   -2.3063   -1.8028 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0552   -1.1872   -3.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1663   -2.3737   -4.2858 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5025   -0.0218   -4.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3749   -0.0675   -5.8509 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0074   -0.0630   -7.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2184    1.2475   -7.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9516    2.5214   -7.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0709    2.5452   -8.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6606    3.7605   -8.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1345    4.9725   -8.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6847    6.2932   -8.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0024    7.3011   -8.7957 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0116    6.2914   -8.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0060    4.9598   -7.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4202    3.7468   -7.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3740    1.1911   -3.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8318    2.3015   -4.1838 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1 37  1  0  0  0  0
  2  3  2  0  0  0  0
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M  END
$$$$

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2023-05-31, 1988👍, 0💬