Molecule FYI-1016608

A

Molecule Summary:

ID: FYI-1016608
Names:
InChIKey: VQLNCTLWGXUAPK-UHFFFAOYSA-N
SMILES: C=CC(=O)Nc5cccc(Oc4nc(Nc1n[nH]c2ccccc12)cc(N3CCN(F)CC3)n4)c5

Received at FYIcenter.com on: 2026-01-28

Molecule ID: FYI-1016608 Edit

Molecule Structure InChIKey: VQLNCTLWGXUAPK-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)Nc5cccc(Oc4nc(Nc1n[nH]c2ccccc12)cc(N3CCN(F)CC3)n4)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1016608
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
    7.2747   10.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   10.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8499    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9962    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8499    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.6833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.6833    0.0000 C   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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
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 35 10  2  0  0  0  0
 35  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016608-3D
FYIcenter.com

 58 62  0  0  0  0  0  0  0  0999 V2000
    3.1873   -2.1056    1.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069   -1.4777    0.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5452   -0.0682    1.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7399    0.4871    2.1334 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6938    0.4812    0.8532 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1740    1.7927    1.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6565    2.5916    2.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0794    3.9070    2.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0483    4.4387    1.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6600    3.6319    0.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6498    4.0793   -0.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5102    5.0907    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9816    5.9036   -0.8891 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7324    6.9362   -0.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1944    7.8463   -1.4429 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2995    9.1980   -1.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0867    9.9408   -0.2384 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9584   11.1903   -0.7107 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0781   11.2856   -2.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8350   12.3313   -2.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1388   12.0945   -4.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7162   10.8920   -4.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8958    9.8394   -3.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5069   10.0277   -2.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0424    7.1093    0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5731    6.1933    1.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8269    6.3513    3.1307 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0676    6.9507    3.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8772    5.9283    4.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0931    5.2797    5.5113 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7338    6.1966    6.4720 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2026-02-02, 635👍, 0💬