Molecule FYI-1016239

A

Molecule Summary:

ID: FYI-1016239
Names:
InChIKey: PFMKIDRZHBZULH-FTCCNZMVSA-N
SMILES: O=C(CCCON=c3c(=c1c(=O)[nH]c2ccccc12)[nH]c4ccccc34)NO

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016239 Edit

Molecule Structure InChIKey: PFMKIDRZHBZULH-FTCCNZMVSA-N

Molecule Structure SMILES String: O=C(CCCON=c3c(=c1c(=O)[nH]c2ccccc12)[nH]c4ccccc34)NO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016239
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   13.7609    4.0553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5485    4.7553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3360    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3360    2.6553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1236    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9112    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6987    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4863    4.0553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2738    4.7553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0614    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    4.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8457    3.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5457    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1131    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0499    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4192    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9151    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4913    5.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3587    7.9559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7281    8.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    9.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8281    9.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    8.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8281    7.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    7.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  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 17  2  0  0  0  0
 18 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 19  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016239-3D
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
    4.8686    0.9995    4.5376 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.4064    4.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6399   -1.0702    4.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2654   -1.3339    2.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0840   -2.8182    2.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101   -3.3984    3.3056 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -3.8911    4.5056 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6017   -4.2976    5.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0663   -4.3674    5.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8089   -3.6059    4.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5281   -2.3361    3.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3683   -1.5283    4.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6557   -2.1075    3.1363 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7028   -2.9222    3.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0269   -2.8013    3.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9512   -3.6312    3.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5283   -4.5800    4.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1752   -4.7087    5.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -3.8453    4.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2622   -5.3501    6.2887 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8822   -5.6619    7.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9876   -6.5417    8.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2615   -6.8030    8.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4064   -6.1968    8.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942   -5.3181    6.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0243   -5.0749    6.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6176    1.0401    4.9119 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8742   -1.4483    5.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773   -1.5717    4.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3423   -0.7941    2.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -3.3766    2.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8272   -2.9297    1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1152   -7.0430    8.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3721   -7.5032    9.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3877   -6.4338    8.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7201    0.5678    4.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6579    2.5814    5.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  3  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  3  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
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 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
$$$$

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2025-12-09, 773👍, 0💬