Molecule FYI-1004135

A

Molecule Summary:

ID: FYI-1004135
Names:
InChIKey: XWFCFMXQTBGXQW-GOSISDBHSA-N
SMILES: O=C(O)c6cn(C1CC1)c5cc(N4CCC(O)(COc3ccc(N2C[C@H](CO)OC2=O)cc3F)CC4)c(F)cc5c6=O

Received at FYIcenter.com on: 2023-08-17

Molecule ID: FYI-1004135 Edit

Molecule Structure InChIKey: XWFCFMXQTBGXQW-GOSISDBHSA-N

Molecule Structure SMILES String: O=C(O)c6cn(C1CC1)c5cc(N4CCC(O)(COc3ccc(N2C[C@H](CO)OC2=O)cc3F)CC4)c(F)cc5c6=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004135
FYIcenter.com

 42 47  0  0  1  0  0  0  0  0999 V2000
   20.4517   13.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4899   12.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1205   11.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2531    9.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5442    8.5612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1899   10.9710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    8.4000    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  6  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  2  0  0  0  0
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 40 38  2  0  0  0  0
 41 13  1  0  0  0  0
 42 41  2  0  0  0  0
 42  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004135-3D
FYIcenter.com

 71 76  0     1  0  0  0  0  0999 V2000
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M  END
$$$$

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2023-08-25, 2636👍, 0💬