Molecule FYI-1014267

A

Molecule Summary:

ID: FYI-1014267
Names:
InChIKey: AYOYTRRYADGUQF-UHFFFAOYSA-N
SMILES: c5ccc4sc(SN(c2nc1ccccc1s2)C3CCCCC3)nc4c5

Received at FYIcenter.com on: 2025-03-18

Molecule ID: FYI-1014267 Edit

Molecule Structure InChIKey: AYOYTRRYADGUQF-UHFFFAOYSA-N

Molecule Structure SMILES String: c5ccc4sc(SN(c2nc1ccccc1s2)C3CCCCC3)nc4c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1014267
FYIcenter.com

 26 30  0  0  0  0  0  0  0  0999 V2000
   10.3779    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    5.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    5.9793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    6.6793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    5.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    6.5487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    3.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1695    4.5870    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3412    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4413    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1412    1.2126    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  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  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
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 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 17  9  1  0  0  0  0
  7 18  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014267-3D
FYIcenter.com

 45 49  0     0  0  0  0  0  0999 V2000
    0.6080   -1.1988    2.2850 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8455    1.5011    1.5206 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5398   -0.3453    2.0240 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828   -1.1603    1.1008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2457    0.0941   -0.1262 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8441   -0.2134    0.0849 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -2.4087    0.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3949   -2.7484    0.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7095   -2.2979   -1.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8410   -4.0173    0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1565   -3.5680   -1.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6066   -3.9183   -1.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9836   -0.5531    1.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0546    2.3210    0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7027    1.4002   -0.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4048    3.6806    0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7370    1.8596   -1.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    0.2566    0.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0544    0.2531   -0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4317    4.1090   -0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0905    3.2120   -1.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3942    0.7003    0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2991    0.7098   -1.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6094    1.1470   -1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5769    1.1525   -2.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7631    1.5035   -3.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
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  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5 13  2  0  0  0  0
  5 16  1  0  0  0  0
  6 14  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
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 12 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 21  1  0  0  0  0
 17 38  1  0  0  0  0
 18 22  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 25  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  2  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1031👍, 0💬