Molecule FYI-1008995

A

Molecule Summary:

ID: FYI-1008995
Names:
InChIKey: XQNBRKJAXBTZMN-UHFFFAOYSA-N
SMILES: CS(=O)(=O)Nc5ccc(c4cc3c(Nc2ccc(Oc1cccc(C(F)(F)F)c1)c(Cl)c2)ncnc3s4)cc5

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

Molecule ID: FYI-1008995 Edit

Molecule Structure InChIKey: XQNBRKJAXBTZMN-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1008995
FYIcenter.com

 39 43  0  0  0  0  0  0  0  0999 V2000
   15.0904   11.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7904   12.2705    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.4904   13.4829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0028   11.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5779   12.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3655   12.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1531   12.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9406   12.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9406   10.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1531   10.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3655   10.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7282   10.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4493   10.7399    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125    9.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    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
    0.5125    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
    5.4125    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125    3.6373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1125    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125    8.4870    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  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 21 20  2  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
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 27 26  1  0  0  0  0
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 29 28  1  0  0  0  0
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 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
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 35 23  1  0  0  0  0
 36 35  1  0  0  0  0
 37 35  2  0  0  0  0
 37 20  1  0  0  0  0
 38 18  2  0  0  0  0
 38 14  1  0  0  0  0
 39 38  1  0  0  0  0
 39 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008995-3D
FYIcenter.com

 57 61  0     0  0  0  0  0  0999 V2000
   -3.9690   -3.7849   -0.7830 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.2798   -0.5174   -0.7879 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4354    2.0182   -2.4063 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5038   -1.2945   -0.7306 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6132    1.9405    1.0571 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1516    0.1331    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1480    0.2479    1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 18  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  3 11  1  0  0  0  0
  3 33  1  0  0  0  0
  4 39  1  0  0  0  0
  5 39  1  0  0  0  0
  6 39  1  0  0  0  0
  7 28  1  0  0  0  0
  7 32  1  0  0  0  0
 10 19  1  0  0  0  0
 10 23  1  0  0  0  0
 10 43  1  0  0  0  0
 11 20  1  0  0  0  0
 11 46  1  0  0  0  0
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 37 56  1  0  0  0  0
 38 57  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1018👍, 0💬