Molecule FYI-1004245

A

Molecule Summary:

ID: FYI-1004245
Names:
InChIKey: XKCLJIXOFHBQNU-UHFFFAOYSA-N
SMILES: Cc2cc(C)cc(N(CC(=O)NC(C)(C)C)C(=O)Cc1ccc(C(=O)NO)cc1F)c2

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

Molecule ID: FYI-1004245 Edit

Molecule Structure InChIKey: XKCLJIXOFHBQNU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(C)cc(N(CC(=O)NC(C)(C)C)C(=O)Cc1ccc(C(=O)NO)cc1F)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004245
FYIcenter.com

 31 32  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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    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
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 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004245-3D
FYIcenter.com

 59 60  0  0  0  0  0  0  0  0999 V2000
    0.9307    1.2762    2.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247    0.4623    0.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1630    1.0848   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6562    0.3286   -1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0123   -1.7194   -0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034   -3.1513    0.0298 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-10, 1916👍, 0💬