Molecule FYI-1014541

A

Molecule Summary:

ID: FYI-1014541
Names:
InChIKey: KOOYWJPVLXHTAW-GOGLXCQPSA-N
SMILES: C[C@]13CC[C@H](C1)c2[nH]c(=O)[nH]c2C(=O)N[C@H]3S(=O)(=O)c4ccc(F)cc4

Received at FYIcenter.com on: 2025-04-26

Molecule ID: FYI-1014541 Edit

Molecule Structure InChIKey: KOOYWJPVLXHTAW-GOGLXCQPSA-N

Molecule Structure SMILES String: C[C@]13CC[C@H](C1)c2[nH]c(=O)[nH]c2C(=O)N[C@H]3S(=O)(=O)c4ccc(F)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014541
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
    0.9524    2.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3004    2.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0248    0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2137    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241    0.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6595    2.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6588    2.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283    3.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1715    3.6836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8319    2.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1890    2.3165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    1.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9887    4.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    5.6940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316    4.6747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5522    3.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1833    7.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676    8.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5522    7.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5522    6.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676    9.9894    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  5  7  1  6  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
  2 16  1  6  0  0  0
 16 17  1  6  0  0  0
 18 17  2  0  0  0  0
 19 17  2  0  0  0  0
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 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014541-3D
FYIcenter.com

 44 47  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2  6  1  0  0  0  0
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  4 33  1  0  0  0  0
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  5  7  1  0  0  0  0
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  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  2  0  0  0  0
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 13 15  1  0  0  0  0
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 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 26  2  0  0  0  0
 20 21  1  0  0  0  0
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 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 1910👍, 0💬