Molecule FYI-1016602

A

Molecule Summary:

ID: FYI-1016602
Names:
InChIKey: FBVOZNNBGRHQTO-UHFFFAOYSA-N
SMILES: C=CC(=O)Nc5cccc(Oc4nc(Nc1n[nH]c2ccccc12)cc(N3CCN(CC)CC3)n4)c5

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

Molecule ID: FYI-1016602 Edit

Molecule Structure InChIKey: FBVOZNNBGRHQTO-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016602
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
    2.4249    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
 11 10  1  0  0  0  0
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 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 35 26  2  0  0  0  0
 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-1016602-3D
FYIcenter.com

 64 68  0  0  0  0  0  0  0  0999 V2000
    3.0181   -2.1168    1.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1309   -1.4926    0.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4130   -0.1178    1.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5996    0.4350    2.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5779    0.4403    0.7658 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0760    1.7240    1.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5799    2.4544    2.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0216    3.7543    2.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9763    4.3334    1.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5615    3.5930    0.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5353    4.0932   -0.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3936    5.0863    0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8145    5.9795   -0.7140 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5605    6.9947   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0307    7.9377   -1.1788 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1732    9.2780   -1.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9712    9.9730    0.1242 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8218   11.2369   -0.2997 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9030   11.3762   -1.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5848   12.4305   -2.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8849   12.2493   -3.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5376   11.1004   -4.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7796   10.0301   -3.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3811   10.1537   -2.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7415    5.0790    1.4965 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8539   -1.9784    0.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729   -0.0682    0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6125   13.0232   -4.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8246   11.0167   -5.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1 38  1  0  0  0  0
  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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  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  2  0  0  0  0
  7  8  2  0  0  0  0
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 36 64  1  0  0  0  0
M  END
$$$$

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2026-02-02, 782👍, 0💬