Molecule FYI-1001760

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A

Molecule Summary:

ID: FYI-1001760
SMILES: FC(F)OC1=CC(=CC(=C1)C(=O)N[C@@H](C)C2N(C3=NC=CC=N3)N=C(N=2)C4(F)CC4)S(=O)(C)=O

Received at FYIcenter.com on: 2022-11-21

Molecule ID: FYI-1001760 Edit

Molecule Structure SMILES String: FC(F)OC1=CC(=CC(=C1)C(=O)N[C@@H](C)C2N(C3=NC=CC=N3)N=C(N=2)C4(F)CC4)S(=O)(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001760
FYIcenter.com

 34 37  0  0  1  0  0  0  0  0999 V2000
    8.0675    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0675    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8551    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2799    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2799    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4925    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4925    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2799    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0675    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0675    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8551    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8551    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4302    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2178    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389    6.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7020    3.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1326    2.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    1.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7049    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4049    5.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9173    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0049    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  6  5  2  0  0  0  0
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 10  9  2  0  0  0  0
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 31  7  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 31  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001760-3D
FYIcenter.com

 53 56  0  0  1  0  0  0  0  0999 V2000
    2.5040   -0.1759   -0.1985 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6465   -0.3370    0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4238   -1.3735    1.3628 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6758   -0.6683   -0.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7472   -1.3528    0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2135   -1.2661    1.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2572   -2.1031    1.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8734   -2.9826    0.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4274   -3.0338   -0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3744   -2.2122   -0.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9781   -4.0837   -1.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2101   -5.1917   -0.8211 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1677   -3.7474   -2.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6008   -4.7526   -3.5751 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5078   -4.2058   -4.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0033   -5.2075   -3.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4695   -6.4889   -3.5494 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7929   -7.5981   -4.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5282   -7.4181   -4.6161 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9199   -8.4855   -5.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5201   -9.7072   -5.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097   -9.7934   -4.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4619   -8.7647   -4.2903 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7715   -6.5843   -3.1646 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0289   -5.3784   -2.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9841   -4.4911   -2.7458 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4044   -5.0269   -2.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3968   -5.9999   -2.1645 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4851   -4.1517   -0.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8878   -3.5969   -2.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2652   -4.3918   -0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5615   -3.8090   -0.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2384   -2.8612   -2.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7634   -3.1522    4.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 30  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 33 51  1  0  0  0  0
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 33 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-14, 1394👍, 0💬