Molecule FYI-1013566

A

Molecule Summary:

ID: FYI-1013566
Names:
InChIKey: WAVSVPPRDDCHSZ-WEVVVXLNSA-N
SMILES: CS/C=C/Cn5c(C)c(n2nnc1cc(F)c(F)cc12)c(=O)n(c3cncc4ccccc34)c5=O

Received at FYIcenter.com on: 2025-01-10

Molecule ID: FYI-1013566 Edit

Molecule Structure InChIKey: WAVSVPPRDDCHSZ-WEVVVXLNSA-N

Molecule Structure SMILES String: CS/C=C/Cn5c(C)c(n2nnc1cc(F)c(F)cc12)c(=O)n(c3cncc4ccccc34)c5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013566
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8459    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2847    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7173    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0866    3.1261    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7805    3.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2132    5.2069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4111    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9785    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.9834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  4  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  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  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27 18  1  0  0  0  0
 27 22  2  0  0  0  0
 28 17  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 30  2  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013566-3D
FYIcenter.com

 53 57  0  0  0  0  0  0  0  0999 V2000
    2.0007   -1.4199   -7.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8825    0.1004   -7.0009 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7256   -0.4232   -5.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5165    0.4174   -4.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1537    0.0560   -3.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6108    0.2429   -3.6214 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1828    1.4406   -3.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2966    2.6843   -3.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5036    1.5404   -2.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0189    2.7055   -2.2819 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    3.3119   -1.2331 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4220    4.6222   -1.4105 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3379    4.8676   -2.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7264    6.0938   -2.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8035    6.0890   -3.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2107    7.2534   -4.3304 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4614    4.9043   -4.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5465    4.9563   -4.9176 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0086    3.6531   -3.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9067    3.6665   -2.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3635    0.3588   -3.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5854    0.4565   -2.9850 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7295   -0.8031   -3.6132 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5439   -1.9547   -3.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7983   -2.3174   -5.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7022   -3.2508   -5.5772 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3991   -3.8389   -4.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1729   -3.6196   -3.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8949   -4.3183   -2.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4539   -4.3235   -0.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3480   -3.5601   -0.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7496   -2.7080   -1.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1518   -2.7168   -2.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3698   -0.9009   -3.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8461   -1.9411   -4.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3453   -1.2330   -8.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3885   -1.7613   -6.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7144   -2.2029   -7.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5737   -1.4389   -5.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    1.4322   -5.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9240   -0.9814   -3.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7230    0.6579   -2.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3430    2.5961   -3.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7912    3.5269   -3.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0697    2.9498   -2.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2228    7.0156   -2.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5215    2.7401   -3.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2827   -1.8407   -6.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -4.5736   -4.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7766   -4.8972   -2.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9513   -4.9519   -0.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9482   -3.6320    0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -2.1052   -1.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 15  2  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 24 33  2  0  0  0  0
 25 26  2  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  1  0  0  0  0
 29 30  2  0  0  0  0
 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  2  0  0  0  0
 31 52  1  0  0  0  0
 32 33  1  0  0  0  0
 32 53  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 704👍, 0💬