Molecule FYI-1011662

A

Molecule Summary:

ID: FYI-1011662
Names:
InChIKey: LKADLMFAUZHGIW-DEOSSOPVSA-N
SMILES: CC[C@](OC)(c3cc(F)cc(OCc2ccc1c(ccc(=O)n1C)c2)c3)c4nccs4

Received at FYIcenter.com on: 2024-08-10

Molecule ID: FYI-1011662 Edit

Molecule Structure InChIKey: LKADLMFAUZHGIW-DEOSSOPVSA-N

Molecule Structure SMILES String: CC[C@](OC)(c3cc(F)cc(OCc2ccc1c(ccc(=O)n1C)c2)c3)c4nccs4

Download SDF Download SVG Structure in 2D SDF:

FYI-1011662
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
    0.0000    2.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    2.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    4.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4426    4.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9694    6.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6746    5.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8575    4.6105    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4426    3.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4426    2.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7705    6.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5492    5.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6160    4.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
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 30 19  1  0  0  0  0
 31 16  2  0  0  0  0
 31 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011662-3D
FYIcenter.com

 54 57  0     1  0  0  0  0  0999 V2000
   -4.3091    1.7805    1.7072 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4015   -3.8916    1.9211 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9895    0.2767   -1.9734 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2672   -1.3128    0.3417 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3987    0.6520    0.4034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7850    2.6227   -0.6799 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4192   -0.0446   -0.6204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2903    0.2052   -0.5548 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8158   -0.1918   -0.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3396   -0.7794    0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0942    1.6289    0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9868   -0.0866   -0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 29  2  0  0  0  0
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  7 31  1  0  0  0  0
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 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1242👍, 0💬