Molecule FYI-1013567

A

Molecule Summary:

ID: FYI-1013567
Names:
InChIKey: LTOAHEAEZYOHEZ-XBXARRHUSA-N
SMILES: Cc5c(n2nnc1cc(F)c(F)cc12)c(=O)n(c3cncc4ccccc34)c(=O)n5C/C=C/SCC(N)CO

Received at FYIcenter.com on: 2025-01-10

Molecule ID: FYI-1013567 Edit

Molecule Structure InChIKey: LTOAHEAEZYOHEZ-XBXARRHUSA-N

Molecule Structure SMILES String: Cc5c(n2nnc1cc(F)c(F)cc12)c(=O)n(c3cncc4ccccc34)c(=O)n5C/C=C/SCC(N)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1013567
FYIcenter.com

 39 43  0  0  0  0  0  0  0  0999 V2000
   10.9119    0.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4833    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8526    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9221    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3547    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7240    3.1261    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4179    3.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8506    5.2069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.0485    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
 10  9  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013567-3D
FYIcenter.com

 62 66  0  0  1  0  0  0  0  0999 V2000
    1.0929    0.3752    0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3060   -2.4215   -1.1887 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7291   -3.3777   -0.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0024   -4.3794    0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1027   -3.2418   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
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M  END
$$$$

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2025-02-16, 386👍, 0💬