Molecule FYI-1006006

A

Molecule Summary:

ID: FYI-1006006
Names:
InChIKey: SGMDUSNPYFXLQE-UHFFFAOYSA-N
SMILES: Cc3c(C(=O)Nc2c(C)n(C)n(C1CCCCC1)c2=O)noc3C4CC(Br)C(C)CO4

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

Molecule ID: FYI-1006006 Edit

Molecule Structure InChIKey: SGMDUSNPYFXLQE-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3c(C(=O)Nc2c(C)n(C)n(C1CCCCC1)c2=O)noc3C4CC(Br)C(C)CO4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006006
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   15.4693    6.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0770    6.2523    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    5.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2541    5.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9410    3.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9632    5.6510    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  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  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
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 20 19  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
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 28 16  1  0  0  0  0
 29 28  2  0  0  0  0
 30 12  1  0  0  0  0
 30  9  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006006-3D
FYIcenter.com

 62 65  0     1  0  0  0  0  0999 V2000
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   -5.7551    0.8806    0.5784 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3916    1.8464    0.2158 N   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-12-01, 333👍, 0💬