Molecule FYI-1009184

A

Molecule Summary:

ID: FYI-1009184
Names:
InChIKey: DNRDVSBPQLYTAQ-GOSISDBHSA-N
SMILES: CC#CCn2c(N1CCC[C@@H](N)C1)nc4c2c(=O)n(Cc3ccc(Cl)cc3C(=O)OOCC)c(=O)n4C

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009184 Edit

Molecule Structure InChIKey: DNRDVSBPQLYTAQ-GOSISDBHSA-N

Molecule Structure SMILES String: CC#CCn2c(N1CCC[C@@H](N)C1)nc4c2c(=O)n(Cc3ccc(Cl)cc3C(=O)OOCC)c(=O)n4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009184
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    9.9918    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9918    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918    9.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
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 11 10  2  0  0  0  0
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 15 14  1  0  0  0  0
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 19 18  2  0  0  0  0
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 33 34  1  6  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 37 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009184-3D
FYIcenter.com

 66 69  0  0  1  0  0  0  0  0999 V2000
    8.4834   -0.0288   -2.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7687    2.2312    4.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7605    3.1595    5.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-05-22, 1064👍, 0💬