Molecule FYI-1003913

A

Molecule Summary:

ID: FYI-1003913
Names:
InChIKey: GLLNBAKMDNNQJJ-UHFFFAOYSA-N
SMILES: CCc4nc(C(N)=O)c(Nc3ccc(N2CCC(N1CCN(C)C(C#N)C1)CC2)c(OC)c3)nc4NC5CCOCC5

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

Molecule ID: FYI-1003913 Edit

Molecule Structure InChIKey: GLLNBAKMDNNQJJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc4nc(C(N)=O)c(Nc3ccc(N2CCC(N1CCN(C)C(C#N)C1)CC2)c(OC)c3)nc4NC5CCOCC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003913
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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    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  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-1003913-3D
FYIcenter.com

 85 89  0  0  1  0  0  0  0  0999 V2000
    1.2964    0.2637   -0.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5270    1.3107   -0.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1607    1.1136   -1.9038 N   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, 639👍, 0💬