Molecule FYI-1005631

A

Molecule Summary:

ID: FYI-1005631
Names:
InChIKey: PYWKJHPMPXPMTA-UHFFFAOYSA-N
SMILES: COc1ccccc1C(=O)C6C3c2ccccc2C=CN3C(C(=O)c4ccccc4OC)C7c5ccccc5C=CN67

Received at FYIcenter.com on: 2023-11-08

Molecule ID: FYI-1005631 Edit

Molecule Structure InChIKey: PYWKJHPMPXPMTA-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccccc1C(=O)C6C3c2ccccc2C=CN3C(C(=O)c4ccccc4OC)C7c5ccccc5C=CN67

Download SDF Download SVG Structure in 2D SDF:

FYI-1005631
FYIcenter.com

 42 48  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    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 N   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
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    6.0623   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
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 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 23  1  0  0  0  0
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 33 22  1  0  0  0  0
 34 33  2  0  0  0  0
 35 33  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 40 35  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005631-3D
FYIcenter.com

 72 78  0  0  1  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
 33 34  1  0  0  0  0
 33 42  1  0  0  0  0
 33 66  1  0  0  0  0
 34 35  1  0  0  0  0
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 36 37  1  0  0  0  0
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 40 41  2  3  0  0  0
 40 71  1  0  0  0  0
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 41 72  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 2766👍, 0💬