Molecule FYI-1006009

A

Molecule Summary:

ID: FYI-1006009
Names:
InChIKey: DHKVZDFNSDUEAS-GUYCJALGSA-N
SMILES: Cc3c(C(=O)Nc2c(C)n(C)n(C1CCCCC1)c2=O)noc3[C@@H]4CC=C[C@H](C)O4

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006009 Edit

Molecule Structure InChIKey: DHKVZDFNSDUEAS-GUYCJALGSA-N

Molecule Structure SMILES String: Cc3c(C(=O)Nc2c(C)n(C)n(C1CCCCC1)c2=O)noc3[C@@H]4CC=C[C@H](C)O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006009
FYIcenter.com

 30 33  0  0  1  0  0  0  0  0999 V2000
   14.3305    8.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5076    7.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1153    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924    6.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8618    5.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2541    5.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0770    6.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9001    6.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2001    7.9037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8306    7.6126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    4.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0470    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7847    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    4.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9410    3.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9632    5.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2543    4.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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  6  2  0  0  0  0
  7  2  1  0  0  0  0
  4  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
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 15 14  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
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 27 15  1  0  0  0  0
 28 27  2  0  0  0  0
 29 11  1  0  0  0  0
 29  8  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006009-3D
FYIcenter.com

 60 63  0     1  0  0  0  0  0999 V2000
    2.4735    1.1270    0.1677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0521   -0.5209   -0.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5148   -0.9650    0.5053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3163    0.9382   -0.8901 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1334   -0.5310   -0.0391 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0622   -1.9139   -0.1674 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.5975   -1.1195    0.1615 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1451   -1.1988    0.4847 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3697    0.2046   -0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9809    0.4401    1.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2641    1.2628    1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4344    2.3444   -0.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 60  1  0  0  0  0
M  END
$$$$

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2023-12-01, 345👍, 0💬