Molecule FYI-1004180

A

Molecule Summary:

ID: FYI-1004180
Names:
InChIKey: PXIJPTJWEUFJKI-UHFFFAOYSA-N
SMILES: O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2C(F)(F)F)NC3CCCCC3

Received at FYIcenter.com on: 2023-08-21

Molecule ID: FYI-1004180 Edit

Molecule Structure InChIKey: PXIJPTJWEUFJKI-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2C(F)(F)F)NC3CCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004180
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    3.6374    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 N   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
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    8.4871    2.8000    0.0000 F   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
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   12.1245    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    9.1000    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
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
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 19  4  1  0  0  0  0
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 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 35 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004180-3D
FYIcenter.com

 60 62  0  0  0  0  0  0  0  0999 V2000
    2.6903    1.5645   -2.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    0.9149   -1.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8494    1.1414    0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9492    2.2512    0.7679 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    2.2341    0.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1762    3.1553    0.9627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0149    1.0354   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2578    1.0328   -0.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5329    3.3987    1.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5477    4.0722    0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9900    5.3311    1.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4329    5.9333    2.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-08-25, 974👍, 0💬