Molecule FYI-1013465

A

Molecule Summary:

ID: FYI-1013465
Names:
InChIKey: XONICWASDPQVSS-UHFFFAOYSA-N
SMILES: NC(=O)c3ccc(NC(=O)CCc2nc1ccccc1s2)cc3

Received at FYIcenter.com on: 2024-12-11

Molecule ID: FYI-1013465 Edit

Molecule Structure InChIKey: XONICWASDPQVSS-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)c3ccc(NC(=O)CCc2nc1ccccc1s2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013465
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.9531    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    4.9959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    7.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 S   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  2  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  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 12  4  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 23 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013465-3D
FYIcenter.com

 38 40  0     0  0  0  0  0  0999 V2000
    3.9839    0.5885    1.5449 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9252    1.8400   -0.1361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7896    0.9060   -0.1815 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9091    0.3892   -1.0255 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5567   -0.4115    0.0841 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8908   -1.3711    0.0699 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8267    1.2641   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7742    0.1447    0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2111    0.7461    0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3926   -0.0140    0.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629   -0.0491   -0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6601    0.6492   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9702   -0.3518    0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6130   -0.4258    1.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1929   -0.5133   -1.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7001   -1.5238    0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5935    0.8772   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6155   -0.8808    0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4102   -0.9248   -0.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7367   -0.2355   -0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0934   -1.4652    0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9868    0.9357   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1893   -0.1741   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6872    1.8048   -0.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6525    2.0042    0.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9277   -0.5774   -0.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1664   -1.3459    0.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7804   -0.3942    2.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433   -0.5518   -2.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2078   -2.4863    0.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0846    1.8254   -0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5677   -1.2043    0.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2016   -1.2817   -1.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6107   -2.4130    0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4663    1.9052   -0.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4840   -2.2906    0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9056   -1.3558    0.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  2  0  0  0  0
  3 23  2  0  0  0  0
  4  9  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  0  0  0  0
  6 23  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  1  0  0  0  0
 15 30  1  0  0  0  0
 16 21  1  0  0  0  0
 16 31  1  0  0  0  0
 17 22  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

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