Molecule FYI-1003648

A

Molecule Summary:

ID: FYI-1003648
Names:
InChIKey: RSNMSLWCZGKIHM-UHFFFAOYSA-N
SMILES: Nc4noc5ccc(c1ccccc1Oc3cc(F)c(S(=O)(=O)Nc2ncns2)cc3F)cc45

Received at FYIcenter.com on: 2023-07-14

Molecule ID: FYI-1003648 Edit

Molecule Structure InChIKey: RSNMSLWCZGKIHM-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc4noc5ccc(c1ccccc1Oc3cc(F)c(S(=O)(=O)Nc2ncns2)cc3F)cc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003648
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
    9.6844    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6844    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2595    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2595    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8968    8.5158    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1092    7.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8968    9.9158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1092    9.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    0.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1092   10.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4721    9.9158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3882   10.0464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3249   11.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6249   12.2992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2555   12.0081    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4721    4.3158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 20 24  1  0  0  0  0
 24 27  1  0  0  0  0
  9 28  1  0  0  0  0
  3 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
 28 30  2  0  0  0  0
  6 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003648-3D
FYIcenter.com

 47 51  0     0  0  0  0  0  0999 V2000
    4.1022   -2.4250    0.3042 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2116    1.5160    1.4314 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9513   -1.5562    2.1676 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9970   -0.1770   -3.0390 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    0.5091   -1.0957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9467   -1.9869    1.0467 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7415   -3.4917    1.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7997   -2.7714   -0.9281 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0138   -1.2485    1.1720 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3743   -2.2518   -0.2486 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7588   -1.3465   -2.3807 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4225    0.2060   -0.7273 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950    2.4327    0.0603 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1417    0.9393    0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1582    1.9739    0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7786   -0.6222   -0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0440    1.7274   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8311    0.3779   -0.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6423   -1.5587   -0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9952   -1.0141    1.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3881    0.5172    1.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3123   -0.1751   -0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3295   -0.4794    2.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3360    3.2300    0.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248   -1.2209    0.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950   -1.2048   -1.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2299   -0.5130   -1.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5598   -0.5291    0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1077    2.7371   -0.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6661   -1.4294   -1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3996    4.2397    0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2854    3.9933   -0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2154    0.0374    0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717    1.5647   -0.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6522    0.7077   -1.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8424    0.9530    2.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5257   -0.8142    3.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2004    3.4473    1.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0922   -1.4523   -2.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1474   -0.2825    1.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7609    2.5686   -1.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389    5.2184    1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4422    4.7803   -0.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9222   -1.2361    2.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2002   -0.7055   -2.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3997   -1.9293   -2.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7523    1.9380   -1.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
  2 13  1  0  0  0  0
  2 33  1  0  0  0  0
  3 25  1  0  0  0  0
  4 27  1  0  0  0  0
  5 17  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  9 33  1  0  0  0  0
  9 44  1  0  0  0  0
 10 30  2  0  0  0  0
 11 30  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 33  2  0  0  0  0
 12 34  1  0  0  0  0
 13 34  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 24  2  0  0  0  0
 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
 16 30  1  0  0  0  0
 17 29  2  0  0  0  0
 18 35  1  0  0  0  0
 19 25  2  0  0  0  0
 19 26  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  2  0  0  0  0
 23 37  1  0  0  0  0
 24 31  1  0  0  0  0
 24 38  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 26 39  1  0  0  0  0
 28 40  1  0  0  0  0
 29 32  1  0  0  0  0
 29 41  1  0  0  0  0
 31 32  2  0  0  0  0
 31 42  1  0  0  0  0
 32 43  1  0  0  0  0
 34 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 2288👍, 0💬