Molecule FYI-1012384

A

Molecule Summary:

ID: FYI-1012384
Names:
InChIKey: HULFYSCAJVTAAR-UHFFFAOYSA-N
SMILES: Cc1nc(/N=C(N)/N)sc1c3cccc(NC(=O)c2ccc(F)cc2)c3

Received at FYIcenter.com on: 2024-09-01

Molecule ID: FYI-1012384 Edit

Molecule Structure InChIKey: HULFYSCAJVTAAR-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1nc(/N=C(N)/N)sc1c3cccc(NC(=O)c2ccc(F)cc2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012384
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4250    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2291    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0583    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    0.6457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1909    2.8986    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5201    2.0045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0895    3.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4818    3.4299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2666    4.4161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 10 11  1  0  0  0  0
  8 16  2  0  0  0  0
 12 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012384-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
   -3.7994    0.4891    1.1800 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7885   -2.5437    0.2889 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    2.2454   -0.1029 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2107    0.4661    0.0163 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3396   -1.3339   -0.5715 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9727   -1.0037    1.1255 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1828   -0.4436   -0.8355 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3794   -1.1015    0.9929 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411    0.9874   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6558    0.2107   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9718    1.1023   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2027    0.3508   -0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1131   -0.7897   -0.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5051    2.3754   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9078    2.4904   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3308    3.1270   -0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4177   -1.3212   -2.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4839    1.0507   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6234    0.0993    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7950   -0.7359    0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8418    0.5130    0.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4741   -1.2072   -0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9110   -0.3797    0.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5433   -2.1000   -0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7617   -1.6863    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1258   -0.8612    0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1473   -0.7315    0.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    2.8935   -0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7698    3.1412   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3818    4.2077   -0.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1486   -0.5404    0.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0205   -0.5117   -2.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1006   -1.9092   -2.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -1.9721   -1.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9770    1.5250    0.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571   -1.5626   -0.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8596   -0.0585    1.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4305   -3.1151   -0.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3531   -0.2216   -1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0729   -0.3426   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4978   -1.4161    1.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2174   -0.9716    0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 20  1  0  0  0  0
  2 25  1  0  0  0  0
  3 18  2  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  4 31  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  2  0  0  0  0
  6 20  1  0  0  0  0
  6 26  2  0  0  0  0
  7 26  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8 26  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 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 27  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 25  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-28, 1138👍, 0💬