Molecule FYI-1013686

A

Molecule Summary:

ID: FYI-1013686
Names:
InChIKey: RAEDLWHJZKEJLH-JLHYYAGUSA-N
SMILES: O=C(/C=C/c1ccc(N(=O)=O)o1)c5ccc(N(Cc2ccc(C(F)(F)F)cc2)c3ccnc4cc(Cl)ccc34)cc5

Received at FYIcenter.com on: 2025-01-21

Molecule ID: FYI-1013686 Edit

Molecule Structure InChIKey: RAEDLWHJZKEJLH-JLHYYAGUSA-N

Molecule Structure SMILES String: O=C(/C=C/c1ccc(N(=O)=O)o1)c5ccc(N(Cc2ccc(C(F)(F)F)cc2)c3ccnc4cc(Cl)ccc34)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1013686
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
   16.8143    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7770   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770   11.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5770   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9617    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    4.9077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  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
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 17 16  1  0  0  0  0
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 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
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 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
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 32 31  1  0  0  0  0
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 34 33  1  0  0  0  0
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 37 33  1  0  0  0  0
 37 30  1  0  0  0  0
 38 27  2  0  0  0  0
 39 26  1  0  0  0  0
 40 39  2  0  0  0  0
 40 23  1  0  0  0  0
 41  6  2  0  0  0  0
 41  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013686-3D
FYIcenter.com

 60 64  0  0  0  0  0  0  0  0999 V2000
    1.4268    0.1082   -0.4967 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    0.9908    0.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0983    1.9665    0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7634    1.8420   -0.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7968    2.7957   -1.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7588    2.8334   -2.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5629    3.9907   -1.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0424    4.6060   -0.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4030    5.8116   -0.1215 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3462    6.4540   -0.6060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7530    6.1293    0.8813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9980    3.9133   -0.2834 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    1.1652    1.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4955    0.8678    1.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4122    1.0550    2.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0235    1.5521    3.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9998    1.8460    4.6378 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1827    2.5663    4.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5041    1.8072    4.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6330    0.4399    4.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8931   -0.1789    4.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0546    0.5539    3.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4262   -0.0777    4.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3561    3.0490    8.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    2.1027    8.9176 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956    1.0892    8.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    0.1487    9.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  2  0  0  0  0
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M  END
$$$$

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2025-02-16, 1177👍, 0💬