Molecule FYI-1003647

A

Molecule Summary:

ID: FYI-1003647
Names:
InChIKey: QTHWAQHWKWHKSM-UHFFFAOYSA-N
SMILES: Nc4noc5ccc(c1cc(Cl)ccc1Oc3cc(F)c(S(=O)(=O)Nc2ncns2)c(F)c3)cc45

Received at FYIcenter.com on: 2023-07-14

Molecule ID: FYI-1003647 Edit

Molecule Structure InChIKey: QTHWAQHWKWHKSM-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc4noc5ccc(c1cc(Cl)ccc1Oc3cc(F)c(S(=O)(=O)Nc2ncns2)c(F)c3)cc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003647
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
    9.6844    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6844    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2595    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2595    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8968    8.5158    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1092    7.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8968    9.9158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1092    9.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2555   12.0081    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8968    5.7158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 29 31  2  0  0  0  0
  1 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003647-3D
FYIcenter.com

 47 51  0     0  0  0  0  0  0999 V2000
   -2.2026    5.4497    1.5358 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9983   -2.3731    0.2311 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    1.4561    1.8392 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3150   -1.5895   -2.5523 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8056   -1.3299    1.9448 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7685    0.6568   -1.5431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9641   -2.3478   -0.4423 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5341   -3.5195    1.0031 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7667   -1.2748    1.3134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6146   -3.1117    0.6646 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3332    2.4928    0.6046 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3262    0.7700   -0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3673    1.8502   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1211    1.7595   -0.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2535   -1.2854    0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3138   -0.2511    0.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.4793   -0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1503   -1.2593   -0.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2486    0.7621   -1.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3457   -0.0511   -1.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 43  1  0  0  0  0
 35 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 548👍, 0💬