Molecule FYI-1013688

A

Molecule Summary:

ID: FYI-1013688
Names:
InChIKey: IJBCZESIUHDIAR-FZSIALSZSA-N
SMILES: O=C(/C=C/c1ccc(N(=O)=O)cc1)c5ccc(N(Cc2ccc(C(F)(F)F)cc2)c3ccnc4cc(Cl)ccc34)cc5

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

Molecule ID: FYI-1013688 Edit

Molecule Structure InChIKey: IJBCZESIUHDIAR-FZSIALSZSA-N

Molecule Structure SMILES String: O=C(/C=C/c1ccc(N(=O)=O)cc1)c5ccc(N(Cc2ccc(C(F)(F)F)cc2)c3ccnc4cc(Cl)ccc34)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1013688
FYIcenter.com

 42 46  0  0  0  0  0  0  0  0999 V2000
   18.1866    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1492   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    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
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 34 33  1  0  0  0  0
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 37 33  1  0  0  0  0
 38 37  2  0  0  0  0
 38 30  1  0  0  0  0
 39 27  2  0  0  0  0
 40 26  1  0  0  0  0
 41 40  2  0  0  0  0
 41 23  1  0  0  0  0
 42  6  2  0  0  0  0
 42  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013688-3D
FYIcenter.com

 63 67  0  0  0  0  0  0  0  0999 V2000
    0.8075    0.6608    1.7235 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592    0.6328    0.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5870   -0.5403   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6040   -1.4599   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6096   -2.6885   -1.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7956   -3.3638   -1.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7685   -4.5650   -2.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5423   -5.1223   -2.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5176   -6.3809   -3.2804 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6160   -6.8956   -3.5797 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4907    1.7982    0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9847    2.6586    1.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7795    3.8061    1.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1800    8.9729    0.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9945    8.4436    0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  5 13  2  0  0  0  0
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  7  8  1  0  0  0  0
  7 46  1  0  0  0  0
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  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
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 42 63  1  0  0  0  0
M  END
$$$$

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2025-02-16, 556👍, 0💬