Molecule FYI-1011012

A

Molecule Summary:

ID: FYI-1011012
Names:
InChIKey: WSVSDGJIDXWKCG-UHFFFAOYSA-N
SMILES: C=C(Cn5c(C)c(n2nnc1ccccc12)c(=O)n(c3cncc4ccccc34)c5=O)SCC(N)C=O

Received at FYIcenter.com on: 2024-07-24

Molecule ID: FYI-1011012 Edit

Molecule Structure InChIKey: WSVSDGJIDXWKCG-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(Cn5c(C)c(n2nnc1ccccc12)c(=O)n(c3cncc4ccccc34)c5=O)SCC(N)C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011012
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
   11.2924    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0800    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8674    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6550    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4426    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4426    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2301    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8714    8.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019    8.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019    7.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8674    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0801    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9297    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1421    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7172    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 13 12  1  0  0  0  0
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 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17  7  1  0  0  0  0
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 31 30  2  0  0  0  0
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  1 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 34 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011012-3D
FYIcenter.com

 60 64  0  0  1  0  0  0  0  0999 V2000
    5.2023   -0.1229    2.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6745   -0.3055    1.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2740   -0.8134    1.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286   -1.0971    2.3987 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573   -0.1225    2.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8639    1.3369    2.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4929   -0.4404    3.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0211    1.3029    2.8604 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1928    2.5306    3.3195 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2546    3.1620    6.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678    1.8173    7.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9549    0.7922    6.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9035    1.1491    5.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3589   -1.8473    4.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2328   -4.1136    4.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1850   -4.5792    5.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1097   -5.7639    5.6751 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5  7  2  0  0  0  0
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  7  8  1  0  0  0  0
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  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
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 36 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-06, 1806👍, 0💬