Molecule FYI-1004356

A

Molecule Summary:

ID: FYI-1004356
Names:
InChIKey: VBORPXBRUDYUOY-UHFFFAOYSA-N
SMILES: COc4ccc(F)c(c3ccc(C)c(C(=O)Nc1ccc(OC(F)(F)F)cc1S(=O)(=O)NC(=O)C2CC2)n3)c4

Received at FYIcenter.com on: 2023-09-01

Molecule ID: FYI-1004356 Edit

Molecule Structure InChIKey: VBORPXBRUDYUOY-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4ccc(F)c(c3ccc(C)c(C(=O)Nc1ccc(OC(F)(F)F)cc1S(=O)(=O)NC(=O)C2CC2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004356
FYIcenter.com

 39 42  0  0  0  0  0  0  0  0999 V2000
    5.0373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000   12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  1  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
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  7 15  1  0  0  0  0
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 38 39  1  0  0  0  0
 36 39  1  0  0  0  0
 36 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004356-3D
FYIcenter.com

 60 63  0  0  0  0  0  0  0  0999 V2000
   12.6668    5.1607   -7.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2871    4.9289   -6.9939 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0116    4.4377   -5.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8140    4.6550   -4.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4474    4.1180   -3.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2757    3.3790   -3.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9891    2.8616   -2.0843 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4164    3.1674   -4.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1633    2.4069   -4.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4139    2.5016   -3.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3255    1.6644   -2.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9586    0.7628   -3.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8197   -0.1783   -3.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6934    0.7956   -5.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2549   -0.0121   -6.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0679   -0.3088   -6.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2648   -0.3898   -7.0974 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8222   -1.2086   -8.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5724   -1.9675  -10.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7227    5.2443   -4.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
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 39 60  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2234👍, 0💬