Molecule FYI-1004247

A

Molecule Summary:

ID: FYI-1004247
Names:
InChIKey: KMCMXBCWXHPWGV-UHFFFAOYSA-N
SMILES: CC(C)(C)NC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2F

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

Molecule ID: FYI-1004247 Edit

Molecule Structure InChIKey: KMCMXBCWXHPWGV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)NC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1004247
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    3.6374    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26  2  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004247-3D
FYIcenter.com

 53 54  0  0  0  0  0  0  0  0999 V2000
    3.0317   -0.2933   -5.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383   -1.5895   -5.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8938   -2.7582   -5.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7489   -1.3725   -6.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6526   -1.8976   -4.0337 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1037   -2.1495   -2.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864   -2.1630   -2.5970 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0381   -2.4136   -1.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4793   -2.5280   -1.8243 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9912    1.2540   -1.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6969    3.2767   -0.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9123    1.6955    0.7297 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9411    2.6591    0.8575 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5492    0.0187    0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5575   -0.9046    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
M  END
$$$$

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2023-09-10, 1682👍, 0💬