Molecule FYI-1015887

A

Molecule Summary:

ID: FYI-1015887
Names:
InChIKey: HSHXOBKYVLUGPO-UYRXBGFRSA-N
SMILES: CCN(CC)CCNC(=O)c3c(C)[nH]c(/C=C/1C(=O)NCC1c2ccc(F)cc2)c3C

Received at FYIcenter.com on: 2025-10-28

Molecule ID: FYI-1015887 Edit

Molecule Structure InChIKey: HSHXOBKYVLUGPO-UYRXBGFRSA-N

Molecule Structure SMILES String: CCN(CC)CCNC(=O)c3c(C)[nH]c(/C=C/1C(=O)NCC1c2ccc(F)cc2)c3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015887
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   12.6102    3.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9013    4.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645    5.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6645    7.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    8.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1333    9.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9562   10.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3869   12.2370    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3485   10.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9181    9.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0340    6.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1803    5.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0570    0.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
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 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 13  2  1  0  0  0  0
 14  3  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
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 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 19  2  0  0  0  0
 29 18  2  0  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 31 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015887-3D
FYIcenter.com

 62 64  0  0  1  0  0  0  0  0999 V2000
    4.7675   -0.2157   -2.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4190   -0.9716   -1.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8320   -0.3160    0.0701 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3134    1.0595    0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7972    1.2163    0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4760   -1.1467    1.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0731   -2.5667    1.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5191   -2.6011    1.2434 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1714   -3.8160    1.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5576   -4.8845    1.2692 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6341   -3.7603    1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4589   -4.0077    2.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7262   -3.1699    3.1129 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7248   -4.2552    3.0734 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5069   -5.0320    2.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198   -5.5940    1.1301 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.0356   -5.4354   -0.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 62  1  0  0  0  0
M  END
$$$$

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2025-11-06, 435👍, 0💬