Molecule FYI-1014490

A

Molecule Summary:

ID: FYI-1014490
Names:
InChIKey: FDVIBSNQJAFHHX-UHFFFAOYSA-N
SMILES: Cc2nc1ccsc1c(=O)n2CCN5CCC(c3noc4cc(F)ccc34)CC5

Received at FYIcenter.com on: 2025-04-22

Molecule ID: FYI-1014490 Edit

Molecule Structure InChIKey: FDVIBSNQJAFHHX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2nc1ccsc1c(=O)n2CCN5CCC(c3noc4cc(F)ccc34)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1014490
FYIcenter.com

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.8326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3315    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5442    1.9009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    3.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    4.1161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    3.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    5.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9832    6.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1296    7.4702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4085    8.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5549    9.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4223   10.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433    9.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9969    8.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8712   11.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2079   11.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252   13.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8991   13.8460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0623   12.7236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4117   11.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6326   11.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6499   13.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4461   14.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8708   14.0522    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    4.3696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9695    3.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  2  0  0  0  0
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  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  2  6  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
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 12 13  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  2  0  0  0  0
 18 19  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 20 26  2  0  0  0  0
 19 23  2  0  0  0  0
 25 27  1  0  0  0  0
  9 28  2  0  0  0  0
  7 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014490-3D
FYIcenter.com

 50 54  0  0  0  0  0  0  0  0999 V2000
    4.6057    1.7093    0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7860    0.5646    1.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3771   -0.5957    1.0543 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6203   -1.6367    1.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874   -2.9633    1.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1180   -3.7717    2.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742   -2.8997    2.6267 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3457   -1.4602    2.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6799   -0.1918    1.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5199   -0.0085    2.3591 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4895    0.8375    1.4775 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8747    2.1818    1.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9923    2.3998    0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1797    3.6464    0.1741 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0174    4.8555    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2083    6.1457   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6653    6.0839   -1.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429    6.1153   -2.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2883    6.8198   -2.6288 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8246    6.6857   -3.8884 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0041    5.9280   -4.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2314    5.5863   -5.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2515    4.8015   -6.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    4.4263   -7.8583 F   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2730    4.7601   -1.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5087    2.7830   -0.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
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 14 29  1  0  0  0  0
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 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1949👍, 0💬