Molecule FYI-1005995

A

Molecule Summary:

ID: FYI-1005995
Names:
InChIKey: LVDRKBFVIUBIBB-MGPUTAFESA-N
SMILES: Cc3c(C(=O)Nc2c(C)n(C)n(C1CCCCC1)c2=O)noc3[C@@H]4OCC(C)(C)O[C@H]4C

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

Molecule ID: FYI-1005995 Edit

Molecule Structure InChIKey: LVDRKBFVIUBIBB-MGPUTAFESA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1005995
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
   11.0388    4.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8617    5.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2541    5.1196    0.0000 O   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
   15.2096    5.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3560    6.8216    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
   12.1152    7.6775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2923    6.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    6.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000    7.9038    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
    7.6842    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4718    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4718    4.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9006    4.1279    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  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  6  0  0  0
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 13 12  2  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
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 30 29  2  0  0  0  0
 31 13  1  0  0  0  0
 31 10  2  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005995-3D
FYIcenter.com

 66 69  0     1  0  0  0  0  0999 V2000
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    4.6965   -1.7058   -0.2210 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.1583   -1.4908    0.2003 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5547    2.7010    1.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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M  END
$$$$

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2023-12-01, 394👍, 0💬