Molecule FYI-1004252

A

Molecule Summary:

ID: FYI-1004252
Names:
InChIKey: LUIDHHZLXPEEIZ-UHFFFAOYSA-N
SMILES: CC(C)(C)NC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2C(F)(F)F

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004252 Edit

Molecule Structure InChIKey: LUIDHHZLXPEEIZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)NC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1004252
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
    3.8249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 30  1  0  0  0  0
 33 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004252-3D
FYIcenter.com

 56 57  0  0  0  0  0  0  0  0999 V2000
    2.5591   -2.1063    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4303   -0.8910    0.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    0.3135    0.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2181   -1.2642    1.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3714   -0.5678   -0.5768 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9532   -0.2662   -1.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7535   -0.2472   -2.1559 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9575    0.2102   -2.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4058   -0.0712   -3.0241 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2753    0.1963   -1.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3315    1.6132   -1.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2630    1.8162    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6010    0.7752    0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5909    1.0676    1.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0462    2.2002    2.1192 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9922    0.0289    2.7767 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9950    0.3457    3.7226 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9905   -0.4730    0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0677   -0.6633   -0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5199   -1.8778   -0.4405 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8931   -0.0167   -4.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1713👍, 0💬