Molecule FYI-1004293

A

Molecule Summary:

ID: FYI-1004293
Names:
InChIKey: BXJLYMCBAYFKIY-GOSISDBHSA-N
SMILES: Cc5cc(O)c([C@@H]4c1c(N)c(C#N)c(N)nc1Oc3ccc2ccccc2c34)c(=O)o5

Received at FYIcenter.com on: 2023-08-28

Molecule ID: FYI-1004293 Edit

Molecule Structure InChIKey: BXJLYMCBAYFKIY-GOSISDBHSA-N

Molecule Structure SMILES String: Cc5cc(O)c([C@@H]4c1c(N)c(C#N)c(N)nc1Oc3ccc2ccccc2c34)c(=O)o5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004293
FYIcenter.com

 31 35  0  0  1  0  0  0  0  0999 V2000
    4.6258    8.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6198    7.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    8.3596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2066    7.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4241    4.5280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
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 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  3  0  0  0  0
 30 27  2  0  0  0  0
 31 30  1  0  0  0  0
 11 30  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004293-3D
FYIcenter.com

 47 51  0  0  1  0  0  0  0  0999 V2000
   -0.5792    1.9287    3.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4796    0.9171    2.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6424    0.2987    1.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5572   -0.7671    0.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479   -1.3710    0.4853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6286   -1.2701    0.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4898   -2.4155   -1.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0394   -1.4899   -2.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8776   -1.2203   -3.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 35  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 1628👍, 0💬