Molecule FYI-1009040

A

Molecule Summary:

ID: FYI-1009040
Names:
InChIKey: PYLWLRCLYJKSOU-UHFFFAOYSA-N
SMILES: O=C(Nc3cc2c(Nc1ccc(F)c(Cl)c1)ncnc2cc3F)c4cc(N(=O)=O)ccc4F

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

Molecule ID: FYI-1009040 Edit

Molecule Structure InChIKey: PYLWLRCLYJKSOU-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc3cc2c(Nc1ccc(F)c(Cl)c1)ncnc2cc3F)c4cc(N(=O)=O)ccc4F

Download SDF Download SVG Structure in 2D SDF:

FYI-1009040
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
   14.5493    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    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  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  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  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 22 15  1  0  0  0  0
 23 13  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 26 12  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 10  1  0  0  0  0
 29 28  1  0  0  0  0
 30  6  2  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 33 32  2  0  0  0  0
 33  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009040-3D
FYIcenter.com

 44 47  0     0  0  0  0  0  0999 V2000
   -6.4896   -2.2192    2.1164 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6977    4.1754    0.7260 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3481    2.0372   -0.7881 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3280   -4.2950    0.0061 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5059   -0.7222   -0.5473 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013   -3.4135    0.5560 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9933   -3.9927    0.7565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7996   -0.0958   -0.7319 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9896    1.4968    0.0616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0181    3.9115    0.2801 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0798    1.8384   -0.3375 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8781   -3.1364    0.5140 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.6764    1.9629   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7316    2.0974    0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8121    3.3194    0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    1.3544   -0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8570    1.2769   -0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6101    3.4413    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6525    4.0392    0.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6955   -1.1594   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7419   -0.1827   -0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2983    0.1671   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0862    3.1390   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -1.4822    0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084    0.7850   -0.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5485   -1.1634    0.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7335   -2.2119   -1.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4830   -1.8138    0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.4534   -0.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4495   -0.8461   -0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4393   -2.2199    0.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6244   -3.2684   -1.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4773   -3.2724   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3622    0.3067   -0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0548    3.6218    0.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3639   -2.2239    0.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5172   -0.3548    1.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0751   -2.2214   -2.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8141    1.2075   -0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5131   -1.0679   -0.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6542   -4.0879   -1.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 18  1  0  0  0  0
  3 25  1  0  0  0  0
  4 33  1  0  0  0  0
  5 22  2  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  8 17  1  0  0  0  0
  8 20  1  0  0  0  0
  8 36  1  0  0  0  0
  9 14  1  0  0  0  0
  9 22  1  0  0  0  0
  9 37  1  0  0  0  0
 10 15  1  0  0  0  0
 10 23  2  0  0  0  0
 11 17  2  0  0  0  0
 11 23  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 34  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 26  2  0  0  0  0
 20 27  1  0  0  0  0
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 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 38  1  0  0  0  0
 24 28  2  0  0  0  0
 24 39  1  0  0  0  0
 25 29  1  0  0  0  0
 26 31  1  0  0  0  0
 26 40  1  0  0  0  0
 27 32  2  0  0  0  0
 27 41  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
 29 42  1  0  0  0  0
 30 43  1  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 32 44  1  0  0  0  0
M  END
$$$$

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