Molecule FYI-1013192

A

Molecule Summary:

ID: FYI-1013192
Names:
InChIKey: YAPWLFBRFIUVEU-CIAFOILYSA-N
SMILES: COc4cccc(/C=N/NC(=O)C23CC1CC(CC(C1)C2)C3)c4OC

Received at FYIcenter.com on: 2024-11-21

Molecule ID: FYI-1013192 Edit

Molecule Structure InChIKey: YAPWLFBRFIUVEU-CIAFOILYSA-N

Molecule Structure SMILES String: COc4cccc(/C=N/NC(=O)C23CC1CC(CC(C1)C2)C3)c4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1013192
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
   11.4414    1.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4414    2.2928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3708    2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3708    4.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3002    4.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2295    4.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2295    2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3002    1.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3708    0.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  7  2  0  0  0  0
 23  3  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013192-3D
FYIcenter.com

 51 54  0     0  0  0  0  0  0999 V2000
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    3.6066   -1.8931   -0.2835 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2575   -1.1101   -0.2430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6945    0.3379    0.0181 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5481    0.8708    0.0544 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0895    0.4472    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
$$$$

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2025-01-07, 1376👍, 0💬