Molecule FYI-1008996

A

Molecule Summary:

ID: FYI-1008996
Names:
InChIKey: LWORINFAHRPALE-UHFFFAOYSA-N
SMILES: O=C(Nc5ccc(c4cc3c(Nc2ccc(Oc1cccc(C(F)(F)F)c1)c(Cl)c2)ncnc3s4)cc5)NC6CC6

Received at FYIcenter.com on: 2024-04-29

Molecule ID: FYI-1008996 Edit

Molecule Structure InChIKey: LWORINFAHRPALE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc5ccc(c4cc3c(Nc2ccc(Oc1cccc(C(F)(F)F)c1)c(Cl)c2)ncnc3s4)cc5)NC6CC6

Download SDF Download SVG Structure in 2D SDF:

FYI-1008996
FYIcenter.com

 41 46  0  0  0  0  0  0  0  0999 V2000
   15.7904   10.8704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7904   12.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0028   12.9704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2152   12.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9152   11.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6152   12.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5779   12.9704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3655   12.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1531   12.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9406   12.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9406   10.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1531   10.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3655   10.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7282   10.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4493   10.7398    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5124    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124    9.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3124    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3373    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.8497    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9373    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5819    8.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
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 31 30  2  0  0  0  0
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 33 32  2  0  0  0  0
 33 28  1  0  0  0  0
 34 32  1  0  0  0  0
 35 34  1  0  0  0  0
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 37 34  1  0  0  0  0
 38 26  1  0  0  0  0
 39 38  2  0  0  0  0
 39 22  1  0  0  0  0
 40 20  2  0  0  0  0
 40 16  1  0  0  0  0
 41 40  1  0  0  0  0
 41 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008996-3D
FYIcenter.com

 62 67  0     0  0  0  0  0  0999 V2000
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    2.8757    2.8398    0.3290 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1252    0.0251   -3.1570 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1744    1.7049   -2.1557 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4774   -0.1732    1.0257 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0470   -1.5736   -0.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4155    0.6471   -0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
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  4 41  1  0  0  0  0
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  6 16  2  0  0  0  0
  7 32  1  0  0  0  0
  7 35  1  0  0  0  0
  8 13  1  0  0  0  0
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  8 47  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 48  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 54  1  0  0  0  0
 11 26  2  0  0  0  0
 11 31  1  0  0  0  0
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 12 31  2  0  0  0  0
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 35 37  1  0  0  0  0
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 36 39  1  0  0  0  0
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 40 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-05, 1982👍, 0💬