Molecule FYI-1004247

A

Molecule Summary:

ID: FYI-1004247
Names:
InChIKey: KMCMXBCWXHPWGV-UHFFFAOYSA-N
SMILES: CC(C)(C)NC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2F

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004247 Edit

Molecule Structure InChIKey: KMCMXBCWXHPWGV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)NC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1004247
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    3.6374    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.4124    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  1  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  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 17  7  1  0  0  0  0
 18  5  2  0  0  0  0
 19  4  1  0  0  0  0
 20 19  2  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
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26  2  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004247-3D
FYIcenter.com

 53 54  0  0  0  0  0  0  0  0999 V2000
    3.0317   -0.2933   -5.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383   -1.5895   -5.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8938   -2.7582   -5.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7489   -1.3725   -6.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6526   -1.8976   -4.0337 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1037   -2.1495   -2.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864   -2.1630   -2.5970 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0381   -2.4136   -1.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4793   -2.5280   -1.8243 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365   -1.4931   -1.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9078   -0.3876   -1.0765 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8203   -1.8684   -1.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7794   -0.7775   -0.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0044    0.3162   -1.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9912    1.2540   -1.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7724    1.1009   -0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8075    2.1208    0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6969    3.2767   -0.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9123    1.6955    0.7297 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9411    2.6591    0.8575 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5492    0.0187    0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5575   -0.9046    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3826   -1.9566    1.0821 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -3.7383   -2.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8729   -4.9433   -1.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5640   -6.0688   -2.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3409   -5.9974   -3.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4065   -4.8108   -4.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7154   -3.7021   -3.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8026   -2.5473   -4.2425 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -0.0547   -5.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982    0.5558   -4.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -0.3621   -4.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2942   -2.5404   -6.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1924   -2.9783   -4.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618   -3.6751   -5.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1551   -1.0868   -7.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2994   -2.2834   -6.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4811   -0.5776   -6.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610   -1.7819   -4.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6861   -3.3380   -1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487   -1.6068   -0.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1990   -2.2300   -2.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8865   -2.6981   -0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4221    0.4361   -2.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1577    2.0978   -2.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2079    0.7251    0.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5253    3.4593    0.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1152   -0.1206    1.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3286   -5.0056   -0.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5261   -6.9980   -1.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9021   -6.8668   -3.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0088   -4.7334   -4.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  2  0  0  0  0
 14 15  2  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  2  0  0  0  0
 25 26  2  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  2  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1889👍, 0💬