Molecule FYI-1006625

A

Molecule Summary:

ID: FYI-1006625
Names:
InChIKey: IYVPNIJTVANKJC-LXPHTAIXSA-N
SMILES: CCN(CCO)CCCNc2cccc3cc(Cl)c(CC(C)[C@H](NC(=O)N(C)Cc1csc(C(C)C)n1)C(N)=O)cc23.CCCCO.CC

Received at FYIcenter.com on: 2024-01-06

Molecule ID: FYI-1006625 Edit

Molecule Structure InChIKey: IYVPNIJTVANKJC-LXPHTAIXSA-N

Molecule Structure SMILES String: CCN(CCO)CCCNc2cccc3cc(Cl)c(CC(C)[C@H](NC(=O)N(C)Cc1csc(C(C)C)n1)C(N)=O)cc23.CCCCO.CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006625
FYIcenter.com

 49 49  0  0  1  0  0  0  0  0999 V2000
   22.8764   12.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4841   12.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6612   13.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9147   10.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5452   10.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6778    8.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6147    9.5709    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5395    9.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5395   11.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3271    9.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
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 19 18  2  0  0  0  0
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 34 33  1  0  0  0  0
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 37 36  1  0  0  0  0
 38 19  1  0  0  0  0
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 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 49 48  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006625-3D
FYIcenter.com

110110  0  0  1  0  0  0  0  0999 V2000
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   14.2038   11.0395    0.6655 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3508   11.8809    0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2990   14.0155    0.8245 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-01-15, 191👍, 0💬