Molecule FYI-1005914

A

Molecule Summary:

ID: FYI-1005914
Names:
InChIKey: WVXNSAVVKYZVOE-UHFFFAOYSA-N
SMILES: CNC(=O)c5cc(Oc4ccc(NC(=O)Nc1cc(C(C)(C)C)nn1c3ccc2ncccc2c3)c(F)c4)ccn5

Received at FYIcenter.com on: 2023-11-20

Molecule ID: FYI-1005914 Edit

Molecule Structure InChIKey: WVXNSAVVKYZVOE-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)c5cc(Oc4ccc(NC(=O)Nc1cc(C(C)(C)C)nn1c3ccc2ncccc2c3)c(F)c4)ccn5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005914
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
   14.2761    4.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4886    4.2413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4886    2.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2761    2.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0637    2.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8513    2.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6389    2.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4263    2.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2139    2.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0015    2.1413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2139    4.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0015    4.9413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891    4.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891    2.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5766    4.9413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3642    4.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2179    2.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8484    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484    3.7703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0853    4.8107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7941    6.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8346    7.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435    8.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    8.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1716    7.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4627    6.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9209   10.2883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9614   11.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2928   10.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5839    9.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4263    4.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6389    4.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0637    4.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7011    2.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7011    0.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9135    2.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1259    2.1414    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  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 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  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
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  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
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 23  1  0  0  0  0
 31 18  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 31  1  0  0  0  0
 35 11  1  0  0  0  0
 36 35  2  0  0  0  0
 36  7  1  0  0  0  0
 37  5  2  0  0  0  0
 37  1  1  0  0  0  0
  3 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005914-3D
FYIcenter.com

 69 73  0     0  0  0  0  0  0999 V2000
   -1.0636   -3.1345    1.1602 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0877    1.7795    0.8627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4275   -1.4493    1.9826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1375   -0.1100   -2.8560 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3021    1.0935    0.0576 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0979    2.1631   -0.1122 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0127    0.4808    0.5098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0376   -0.5549    0.9223 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4781   -4.0034   -0.2544 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2306    0.7815   -0.1716 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0712    1.1688   -2.8147 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7634    4.5701   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2587    3.1918    0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5338    5.3926    1.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    5.3541   -1.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3003    4.7187   -0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9376    2.7823    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9986    1.4102    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387   -0.1779   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3694   -1.0729   -0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488   -0.5705    0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9114   -2.3662   -1.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9372   -2.7718   -0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3873   -1.8565    0.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6195    0.6772    0.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4575   -3.2874   -2.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0129   -4.5572   -2.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4077   -0.7847    1.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0120   -4.8624   -1.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897   -2.0886    1.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2765    0.2960    1.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1096   -1.2314    1.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2406   -2.3120    1.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6274    0.0725    1.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3555   -0.7096    1.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2122   -0.5478   -0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4351   -0.1267    1.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1683    0.2003   -0.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3365    0.6025    1.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0687    0.4019   -2.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1240    1.4387   -4.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9099    6.4174    1.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4676    5.4518    1.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0437    4.9192    2.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4327    6.3792   -1.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2129    4.8525   -2.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9726    5.4122   -1.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5985    5.7707   -0.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8989    4.2551    0.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5614    4.2283   -1.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698    3.4057    0.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3078   -0.4907    0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5859   -0.7714   -1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2307    0.1072    1.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771   -2.1402    1.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681   -3.0204   -2.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318   -1.3919    0.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6739   -5.2819   -2.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4834   -5.8398   -1.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9816    1.3332    1.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6102   -3.3300    1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2776    0.9327    1.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3902   -1.0112   -0.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5713   -0.2364    2.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1955    1.0773    1.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7953    1.5769   -2.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6379    2.3999   -4.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1723    1.4938   -4.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6126    0.6540   -4.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 25  2  0  0  0  0
  3 32  1  0  0  0  0
  3 35  1  0  0  0  0
  4 40  2  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 13  2  0  0  0  0
  7 18  1  0  0  0  0
  7 25  1  0  0  0  0
  7 52  1  0  0  0  0
  8 25  1  0  0  0  0
  8 28  1  0  0  0  0
  8 57  1  0  0  0  0
  9 23  1  0  0  0  0
  9 29  2  0  0  0  0
 10 38  2  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 11 66  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  2  0  0  0  0
 17 51  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 53  1  0  0  0  0
 21 24  2  0  0  0  0
 21 54  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 55  1  0  0  0  0
 26 27  2  0  0  0  0
 26 56  1  0  0  0  0
 27 29  1  0  0  0  0
 27 58  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 59  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 31 60  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 61  1  0  0  0  0
 34 62  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 63  1  0  0  0  0
 37 39  2  0  0  0  0
 37 64  1  0  0  0  0
 38 40  1  0  0  0  0
 39 65  1  0  0  0  0
 41 67  1  0  0  0  0
 41 68  1  0  0  0  0
 41 69  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 1824👍, 0💬