Molecule FYI-1009042

A

Molecule Summary:

ID: FYI-1009042
Names:
InChIKey: ZILKTDJCFGYUHY-UHFFFAOYSA-N
SMILES: O=C(Nc3cc2c(Nc1ccc(F)c(Cl)c1)ncnc2cc3OCCCN4CCNCC4)c5cc(N(=O)=O)ccc5F

Received at FYIcenter.com on: 2024-04-29

Molecule ID: FYI-1009042 Edit

Molecule Structure InChIKey: ZILKTDJCFGYUHY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc3cc2c(Nc1ccc(F)c(Cl)c1)ncnc2cc3OCCCN4CCNCC4)c5cc(N(=O)=O)ccc5F

Download SDF Download SVG Structure in 2D SDF:

FYI-1009042
FYIcenter.com

 42 46  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   12.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   14.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  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  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 26 19  1  0  0  0  0
 27 17  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 30 16  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 14  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 42 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009042-3D
FYIcenter.com

 68 72  0     0  0  0  0  0  0999 V2000
   -7.4630   -0.7300    3.0618 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7698   -0.6749   -3.2104 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1973   -3.0913    1.4268 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5156    3.0513   -0.8810 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4274   -4.5657    1.6467 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2829    2.1758    1.0655 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5051    0.5553    3.1346 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0303    0.2858   -1.0146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1549    3.9205   -0.5197 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2126   -4.3478    0.6922 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0525    2.7878    2.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780    0.8230    0.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9659    3.8050    0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9495   -1.1100   -1.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6002   -2.7573   -0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 21  1  0  0  0  0
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 41 68  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1132👍, 0💬