Molecule FYI-1016603

A

Molecule Summary:

ID: FYI-1016603
Names:
InChIKey: MXASQDQTBAMQSY-UHFFFAOYSA-N
SMILES: C=CC(=O)Nc5cccc(Oc4nc(Nc1n[nH]c2ccccc12)cc(N3CCN(C=C)CC3)n4)c5

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

Molecule ID: FYI-1016603 Edit

Molecule Structure InChIKey: MXASQDQTBAMQSY-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016603
FYIcenter.com

 36 40  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
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    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
 11 10  1  0  0  0  0
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 35 12  1  0  0  0  0
 36 10  2  0  0  0  0
 36  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016603-3D
FYIcenter.com

 62 66  0  0  0  0  0  0  0  0999 V2000
    2.5553    0.7870   -1.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7452    0.5430   -1.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0999   -0.8520   -0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3088   -1.7631   -1.0893 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3351   -0.9536   -0.2536 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9289   -2.1659    0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4540   -3.4152   -0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9996   -4.5887    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0534   -4.5315    1.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6106   -3.3004    1.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6606   -3.1574    2.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5840   -4.1896    2.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9813   -5.3716    3.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6359   -5.5294    5.1902 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0027   -6.6926    5.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4457   -7.8918    5.5752 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8672   -8.6306    6.6126 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6681   -7.9554    7.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1562   -8.2839    8.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0829   -7.4047    9.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5337   -6.2850    8.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 37  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  7  1  0  0  0  0
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 36 62  1  0  0  0  0
M  END
$$$$

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2026-02-02, 918👍, 0💬