Molecule FYI-1009249

A

Molecule Summary:

ID: FYI-1009249
Names:
InChIKey: GUBOXFWNNXSQNH-YZKFAUGJSA-N
SMILES: CS(=O)(=O)n4cc3CN([C@@H]2C[C@H](N)C(c1cc(F)ccc1F)O[C@@H]2C(F)(F)F)Cc3n4

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009249 Edit

Molecule Structure InChIKey: GUBOXFWNNXSQNH-YZKFAUGJSA-N

Molecule Structure SMILES String: CS(=O)(=O)n4cc3CN([C@@H]2C[C@H](N)C(c1cc(F)ccc1F)O[C@@H]2C(F)(F)F)Cc3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009249
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
   14.1309    6.5419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4309    7.7543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7309    8.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6434    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9396    7.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 29  2  0  0  0  0
 30 24  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009249-3D
FYIcenter.com

 50 53  0     1  0  0  0  0  0999 V2000
    7.1828   -0.5976    0.0950 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5079    2.7532    0.4227 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2418    2.4425   -0.8456 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4973    3.0058    1.2481 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1654    1.7217   -0.8616 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8558   -3.1777    1.4696 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6949   -1.3300   -1.0848 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8339    0.6909    0.4128 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4180    0.3344   -0.2711 N   0  0  1  0  0  0  0  0  0  0  0  0
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    2.2063   -0.5195   -1.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 50  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1241👍, 0💬