Molecule FYI-1003912

A

Molecule Summary:

ID: FYI-1003912
Names:
InChIKey: PVZSNUMKOHIYAY-UHFFFAOYSA-N
SMILES: C#CC5CN(C4CCN(c3ccc(Nc2nc(NC1CCOCC1)c(CC)nc2C(N)=O)cc3OC)CC4)CCN5C

Received at FYIcenter.com on: 2023-08-04

Molecule ID: FYI-1003912 Edit

Molecule Structure InChIKey: PVZSNUMKOHIYAY-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CC5CN(C4CCN(c3ccc(Nc2nc(NC1CCOCC1)c(CC)nc2C(N)=O)cc3OC)CC4)CCN5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003912
FYIcenter.com

 42 46  0  0  0  0  0  0  0  0999 V2000
    1.2124   18.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   16.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   16.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   14.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   14.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   14.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   16.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   16.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   16.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   18.2002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    9.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  2  0  0  0  0
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  6  5  2  0  0  0  0
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 40 39  1  0  0  0  0
 40 35  1  0  0  0  0
 27 41  1  0  0  0  0
 41 42  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003912-3D
FYIcenter.com

 86 90  0  0  1  0  0  0  0  0999 V2000
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   10.4051    8.4021   -1.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-08-09, 3351👍, 0💬