Molecule FYI-1001760

Home > Molecule

A

Molecule Summary:

ID: FYI-1001760
SMILES: FC(F)OC1=CC(=CC(=C1)C(=O)N[C@@H](C)C2N(C3=NC=CC=N3)N=C(N=2)C4(F)CC4)S(=O)(C)=O

Received at FYIcenter.com on: 2022-11-21

Molecule ID: FYI-1001760 Edit

Molecule Structure SMILES String: FC(F)OC1=CC(=CC(=C1)C(=O)N[C@@H](C)C2N(C3=NC=CC=N3)N=C(N=2)C4(F)CC4)S(=O)(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001760
FYIcenter.com

 34 37  0  0  1  0  0  0  0  0999 V2000
    8.0675    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0675    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8551    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2799    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2799    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4925    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4925    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2799    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0675    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0675    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8551    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8551    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6427    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4302    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4302    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2178    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389    6.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6477    7.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6881    8.4756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3971    9.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655   10.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0252    9.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3163    7.9715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020    5.1290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7020    3.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0715    4.2077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5154    2.4186    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    1.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7049    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4049    5.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9173    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0049    7.5124    0.0000 O   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  2  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  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  6  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  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  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 26 16  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 30 27  1  0  0  0  0
 31  7  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 31  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001760-3D
FYIcenter.com

 53 56  0  0  1  0  0  0  0  0999 V2000
    2.5040   -0.1759   -0.1985 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6465   -0.3370    0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4238   -1.3735    1.3628 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6758   -0.6683   -0.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7472   -1.3528    0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2135   -1.2661    1.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2572   -2.1031    1.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8734   -2.9826    0.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4274   -3.0338   -0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3744   -2.2122   -0.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9781   -4.0837   -1.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2101   -5.1917   -0.8211 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1677   -3.7474   -2.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6008   -4.7526   -3.5751 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5078   -4.2058   -4.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0033   -5.2075   -3.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4695   -6.4889   -3.5494 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7929   -7.5981   -4.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5282   -7.4181   -4.6161 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9199   -8.4855   -5.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5201   -9.7072   -5.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097   -9.7934   -4.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4619   -8.7647   -4.2903 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7715   -6.5843   -3.1646 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0289   -5.3784   -2.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9841   -4.4911   -2.7458 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4044   -5.0269   -2.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3968   -5.9999   -2.1645 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4851   -4.1517   -0.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8878   -3.5969   -2.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7799   -2.0790    3.5092 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3336   -0.8204    4.0769 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8245   -3.3865    4.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1793   -2.4538    3.5385 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8617    0.5823    1.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7626   -0.5852    2.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6771   -3.6416    1.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9811   -2.2889   -1.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0343   -2.7955   -2.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8868   -5.5688   -3.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0987   -3.2897   -5.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4706   -3.9652   -5.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8765   -4.9284   -5.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8987   -8.3147   -5.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0120  -10.5489   -5.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3770  -10.7163   -4.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2652   -4.3918   -0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5615   -3.8090   -0.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9419   -3.4549   -2.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2384   -2.8612   -2.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7634   -3.1522    4.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0842   -3.4497    5.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0654   -4.3271    3.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 35  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 40  1  1  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  2  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 30  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 33 51  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-14, 1860👍, 0💬