Molecule FYI-1003645

A

Molecule Summary:

ID: FYI-1003645
Names:
InChIKey: XGDLOGLCUZUGDZ-UHFFFAOYSA-N
SMILES: Nc4noc5ccc(c1cc(F)ccc1Oc3cc(F)c(S(=O)(=O)Nc2ncns2)cc3F)cc45

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

Molecule ID: FYI-1003645 Edit

Molecule Structure InChIKey: XGDLOGLCUZUGDZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc4noc5ccc(c1cc(F)ccc1Oc3cc(F)c(S(=O)(=O)Nc2ncns2)cc3F)cc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003645
FYIcenter.com

 35 39  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
   12.1093    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
   12.1093    9.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1093   10.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    9.9158    0.0000 F   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
   13.3882   10.0463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3250   11.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250   12.2992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2556   12.0081    0.0000 S   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
    1.1973    8.5157    0.0000 F   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
  9 11  1  0  0  0  0
  3 12  1  0  0  0  0
  5 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
 11 14  2  0  0  0  0
 13 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
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  1  0  0  0  0
 26 30  1  0  0  0  0
 30 33  1  0  0  0  0
 21 34  1  0  0  0  0
  6 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003645-3D
FYIcenter.com

 47 51  0     0  0  0  0  0  0999 V2000
    4.2061   -2.4596    0.4455 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2144    1.5713    1.3215 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274   -1.5267    2.2437 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0631   -0.5031   -3.0428 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6506    5.3150    0.8258 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8028    0.2613   -1.1520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8561   -2.2112    1.1287 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8673   -3.4734    1.4371 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9172   -2.8667   -0.7603 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0850   -1.2079    1.2389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2719   -2.5671   -0.1485 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6681   -1.7840   -2.3318 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667    0.1318   -0.7484 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4816    2.4054   -0.1046 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1161    0.7401    0.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1553    1.7796    0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0322    1.5090   -0.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7135   -0.9071   -0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7880    0.0958   -0.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7274   -1.6573   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9269   -1.2205    1.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3584    0.3958    1.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3685   -0.3738   -0.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643    3.0653    0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2782   -0.6025    2.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7983   -1.2781    0.9464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770   -1.3946   -1.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2976   -0.7530   -1.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187   -0.6366    0.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1183    2.5241   -0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5795   -1.7793   -0.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4505    4.0804    0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3275    3.8099   -0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579    0.0407    0.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5839    1.4768   -1.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6122    0.3648   -1.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8264    0.8959    2.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2355    3.3015    1.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4710   -0.8773    3.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1832   -1.6755   -2.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0972   -0.3571    1.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7567    2.3363   -1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3827    4.6010   -0.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9884   -1.1325    2.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1219   -1.1666   -2.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2933   -2.4136   -2.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7598    1.7900   -2.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
  1 20  1  0  0  0  0
  2 14  1  0  0  0  0
  2 34  1  0  0  0  0
  3 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 32  1  0  0  0  0
  6 17  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
 10 34  1  0  0  0  0
 10 44  1  0  0  0  0
 11 31  2  0  0  0  0
 12 31  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 34  2  0  0  0  0
 13 35  1  0  0  0  0
 14 35  2  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 18 31  1  0  0  0  0
 19 36  1  0  0  0  0
 20 26  2  0  0  0  0
 20 27  1  0  0  0  0
 21 25  1  0  0  0  0
 22 25  2  0  0  0  0
 22 37  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 24 32  2  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  2  0  0  0  0
 27 40  1  0  0  0  0
 29 41  1  0  0  0  0
 30 33  2  0  0  0  0
 30 42  1  0  0  0  0
 32 33  1  0  0  0  0
 33 43  1  0  0  0  0
 35 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 2136👍, 0💬