Molecule FYI-1005645

A

Molecule Summary:

ID: FYI-1005645
Names:
InChIKey: KDBIBAMXWIXIKV-UHFFFAOYSA-N
SMILES: COc7cccc(C(=O)C5C2c1ccccc1C=CN2C(C(=O)c3cccc(OC)c3)C6c4ccccc4C=CN56)c7

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

Molecule ID: FYI-1005645 Edit

Molecule Structure InChIKey: KDBIBAMXWIXIKV-UHFFFAOYSA-N

Molecule Structure SMILES String: COc7cccc(C(=O)C5C2c1ccccc1C=CN2C(C(=O)c3cccc(OC)c3)C6c4ccccc4C=CN56)c7

Download SDF Download SVG Structure in 2D SDF:

FYI-1005645
FYIcenter.com

 42 48  0  0  0  0  0  0  0  0999 V2000
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    6.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    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
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    4.2000    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
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 28 23  1  0  0  0  0
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 31 30  1  0  0  0  0
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 33 22  1  0  0  0  0
 34 33  2  0  0  0  0
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 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 37  2  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 42 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005645-3D
FYIcenter.com

 72 78  0  0  1  0  0  0  0  0999 V2000
   -5.0620   10.5672   -8.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7247   10.8704   -7.7605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9131    9.7892   -7.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7822   10.2792   -4.9627 C   0  0  3  0  0  0  0  0  0  0  0  0
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    0.0481   14.9831   -8.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  1  0  0  0  0
 32 41  1  0  0  0  0
 32 65  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  2  0  0  0  0
 34 35  2  0  0  0  0
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 35 36  1  0  0  0  0
 35 67  1  0  0  0  0
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 37 38  1  0  0  0  0
 37 69  1  0  0  0  0
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 40 71  1  0  0  0  0
 42 72  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 1870👍, 0💬