Molecule FYI-1015435

A

Molecule Summary:

ID: FYI-1015435
Names:
InChIKey: VQKYINNDXGNDTM-RMKNXTFCSA-N
SMILES: COc4cc(/C=C/C(=O)c3nnn(c2ccc1c(cnn1C)c2)c3C)cc(OC)c4OC

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015435 Edit

Molecule Structure InChIKey: VQKYINNDXGNDTM-RMKNXTFCSA-N

Molecule Structure SMILES String: COc4cc(/C=C/C(=O)c3nnn(c2ccc1c(cnn1C)c2)c3C)cc(OC)c4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015435
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   15.0779    7.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8655    8.6844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6531    7.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4406    8.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2282    7.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0157    8.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8033    7.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3784    7.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8655    5.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0779    6.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 27  2  0  0  0  0
 30  3  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015435-3D
FYIcenter.com

 55 58  0  0  0  0  0  0  0  0999 V2000
    5.5532    4.8317   -0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9777    3.5596   -1.1598 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4154    2.8846   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9177    3.5405    1.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2437    2.8473    2.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7537    3.6068    3.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6739    3.2746    3.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    4.1266    5.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7603    5.1760    5.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0413    3.5869    5.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6026    3.1519    8.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9919    1.9030    8.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4282    3.2349   11.1991 N   0  0  0  0  0  0  0  0  0  0  0  0
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 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 25 46  1  0  0  0  0
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 25 48  1  0  0  0  0
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 26 49  1  0  0  0  0
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 31 32  1  0  0  0  0
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 32 55  1  0  0  0  0
M  END
$$$$

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2025-11-06, 222👍, 0💬