Molecule FYI-1004249

A

Molecule Summary:

ID: FYI-1004249
Names:
InChIKey: YLAUYWFKPYRYBW-UHFFFAOYSA-N
SMILES: Cc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cc2ccc(C(=O)NO)cc2F

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

Molecule ID: FYI-1004249 Edit

Molecule Structure InChIKey: YLAUYWFKPYRYBW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cc2ccc(C(=O)NO)cc2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1004249
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
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   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
    1.9124    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
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  6  5  1  0  0  0  0
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 18  5  2  0  0  0  0
 19  4  1  0  0  0  0
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 21 20  1  0  0  0  0
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 25 24  1  0  0  0  0
 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-1004249-3D
FYIcenter.com

 56 57  0  0  0  0  0  0  0  0999 V2000
    1.4114   -0.1115   -1.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6154    0.0421   -0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    1.2545   -0.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9160    1.5048    0.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9322   -2.3174    0.2728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2006   -3.2539    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5579   -4.3648    1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0377   -4.5379    2.1104 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6068   -5.4076   -0.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 55  1  0  0  0  0
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 28 56  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

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2023-09-16, 423👍, 0💬