Molecule FYI-1004102

A

Molecule Summary:

ID: FYI-1004102
Names:
InChIKey: TUSSGPOSTNCAEO-UMSFTDKQSA-N
SMILES: CCc6c3Cn2c(cc1c(COC(=O)[C@]1(O)CC)c2=O)c3nc7ccc(OC(=O)c5ccc(N4CCCCC4)cc5)cc67

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

Molecule ID: FYI-1004102 Edit

Molecule Structure InChIKey: TUSSGPOSTNCAEO-UMSFTDKQSA-N

Molecule Structure SMILES String: CCc6c3Cn2c(cc1c(COC(=O)[C@]1(O)CC)c2=O)c3nc7ccc(OC(=O)c5ccc(N4CCCCC4)cc5)cc67

Download SDF Download SVG Structure in 2D SDF:

FYI-1004102
FYIcenter.com

 43 49  0  0  1  0  0  0  0  0999 V2000
   12.0963    9.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5269    8.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3497    7.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9574    7.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7420    7.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5650    6.3506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9955    5.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6032    4.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7803    6.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3880    5.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8186    4.6326    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
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8567    2.5137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 33 32  2  0  0  0  0
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 36 35  1  0  0  0  0
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 40 11  1  0  0  0  0
 41 40  1  0  0  0  0
 41  8  1  0  0  0  0
 42 41  2  0  0  0  0
 43  5  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004102-3D
FYIcenter.com

 76 82  0  0  1  0  0  0  0  0999 V2000
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M  END
$$$$

✍: FYIcenter.com

2023-08-25, 857👍, 0💬