Molecule FYI-1003646

A

Molecule Summary:

ID: FYI-1003646
Names:
InChIKey: YMAOYJAKAGLHIJ-UHFFFAOYSA-N
SMILES: Nc4noc5ccc(c1cc(Cl)ccc1Oc3cc(F)c(S(=O)(=O)Nc2cscn2)cc3F)cc45

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

Molecule ID: FYI-1003646 Edit

Molecule Structure InChIKey: YMAOYJAKAGLHIJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc4noc5ccc(c1cc(Cl)ccc1Oc3cc(F)c(S(=O)(=O)Nc2cscn2)cc3F)cc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003646
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
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   12.1092    7.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 30 34  2  0  0  0  0
 30 31  1  0  0  0  0
  3 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003646-3D
FYIcenter.com

 48 52  0     0  0  0  0  0  0999 V2000
   -1.7668    5.6629    0.9176 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2249   -2.4160    0.4806 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4461    2.5606    0.0172 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0297   -1.4923    2.2633 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0814   -0.5063   -3.0331 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7999    0.2521   -1.1553 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9452   -2.8234   -0.7195 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0890   -1.1523    1.2712 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4758    0.1052   -0.7905 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220    0.7174    0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719    1.7653    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7842    0.0588   -0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7415   -1.6292    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125   -1.2591    1.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3638    0.3792    1.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -0.3707   -0.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 47  1  0  0  0  0
 35 48  1  0  0  0  0
M  END
$$$$

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2023-07-29, 2396👍, 0💬