Molecule FYI-1002229

A

Molecule Summary:

ID: FYI-1002229
Names:
InChIKey: DCBUTZVIUREWHF-UHFFFAOYSA-N
SMILES: COc4cccc5c3/C(=C/1CCN(S(=O)(=O)N(C)C)CC1)CN(c2ccccc2)Cc3cnc45

Received at FYIcenter.com on: 2023-02-06

Molecule ID: FYI-1002229 Edit

Molecule Structure InChIKey: DCBUTZVIUREWHF-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cccc5c3/C(=C/1CCN(S(=O)(=O)N(C)C)CC1)CN(c2ccccc2)Cc3cnc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1002229
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
   11.6119   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2119   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
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  9  8  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002229-3D
FYIcenter.com

 64 68  0  0  0  0  0  0  0  0999 V2000
    1.1931   -0.1557    1.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0801    1.4038    2.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3980    1.4273    3.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0388    1.8945   -0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1554   -0.2023   -4.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7257    1.0341   -4.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9788    2.2765   -2.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 64  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
$$$$

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2023-02-28, 583👍, 0💬