Molecule FYI-1016673

A

Molecule Summary:

ID: FYI-1016673
Names:
InChIKey: VWFHKGIXGROPFJ-UHFFFAOYSA-N
SMILES: Cn1nc(C(F)(F)F)cc1c7ccc(OCC5CCN(c3cccc4c(=O)n(C2CCC(=O)NC2=O)c(=O)c34)CC5)c(c6cc(C(F)(F)F)cc(C(F)(F)F)c6)c7O

Received at FYIcenter.com on: 2026-02-10

Molecule ID: FYI-1016673 Edit

Molecule Structure InChIKey: VWFHKGIXGROPFJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1nc(C(F)(F)F)cc1c7ccc(OCC5CCN(c3cccc4c(=O)n(C2CCC(=O)NC2=O)c(=O)c34)CC5)c(c6cc(C(F)(F)F)cc(C(F)(F)F)c6)c7O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016673
FYIcenter.com

 58 64  0  0  0  0  0  0  0  0999 V2000
   12.9705   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9705    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7581    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5457    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5457   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9331   12.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331   14.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7331   12.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1207   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1207    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6083    7.1876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2083    9.6124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7581    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5457    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5457    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2710    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2710    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2306    3.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.3158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.9531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.7406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8611    2.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1923    4.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1290    5.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1207    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9705    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1829    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1829    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3954    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6743    8.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6111    9.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0035    9.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1498   10.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.3958    9.2784    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.8571    8.0324    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9110   10.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5417   10.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5012   11.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  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 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 17  4  1  0  0  0  0
 18  3  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 37 32  1  0  0  0  0
 38 37  2  0  0  0  0
 39 35  2  0  0  0  0
 40 30  2  0  0  0  0
 41 29  2  0  0  0  0
 41 25  1  0  0  0  0
 42 41  1  0  0  0  0
 42 31  1  0  0  0  0
 43 42  2  0  0  0  0
 44 24  1  0  0  0  0
 45 44  1  0  0  0  0
 45 21  1  0  0  0  0
 46 18  2  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 48  2  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 54 52  1  0  0  0  0
 55 52  1  0  0  0  0
 56 51  2  0  0  0  0
 57 56  1  0  0  0  0
 57 49  1  0  0  0  0
 58 57  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016673-3D
FYIcenter.com

 88 94  0  0  1  0  0  0  0  0999 V2000
   -0.4927   -0.3501   -2.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7229   -0.4738   -1.3382 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    0.5828   -1.3254 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5692    0.2078   -0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7382    1.0777   -0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7078    2.3077   -0.7326 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8219    1.2757    1.1871 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    0.5016   -0.5280 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3656   -1.1128   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1549   -1.5450   -0.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4636   -2.8309   -0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3226   -3.4025   -1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9573   -4.6242   -1.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7974   -5.3467    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4226   -6.5610    0.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0881   -7.1249   -0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030   -8.5375   -0.5938 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5002   -9.5768   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6541   -9.8903   -1.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5268  -10.1767   -2.7084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4496  -11.3479   -3.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1257  -12.5683   -2.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0742  -13.8048   -3.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3497  -13.8655   -4.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6559  -12.6729   -5.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9297  -12.4624   -6.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8164  -13.3560   -7.6619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2191  -11.1448   -7.0165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4939  -10.4650   -8.2792 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7158  -10.9548   -9.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5135  -12.2984   -9.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1634  -12.4138  -10.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9850  -13.1798  -11.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1398  -11.6166   -9.9578 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2406  -10.5279   -9.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3322   -9.7053   -9.0619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0162  -10.4520   -5.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0803   -9.2425   -5.7317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7074  -11.4483   -4.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5777   -9.2076   -3.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4455   -9.0036   -1.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0229   -4.8482    1.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3077   -5.6424    2.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452   -7.0437    2.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8361   -7.8100    3.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9054   -9.3149    3.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5713   -9.8171    2.0477 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1559   -9.7868    3.5242 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0789   -9.9249    4.1583 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208   -7.1443    4.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1385   -5.7494    4.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7658   -4.9866    5.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3798   -5.7863    6.6538 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7303   -4.1331    5.2902 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8762   -4.2243    6.4265 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5725   -5.0360    3.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313   -3.5796    0.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4509   -3.0163    1.7795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6289    0.6876   -2.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400   -0.6645   -1.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3925   -0.9686   -3.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0217   -1.6652    0.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4506   -2.9340   -2.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5582   -4.9851   -2.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042   -7.1477   -1.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9532   -6.4933   -1.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2290   -8.4897    0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722  -10.5088    0.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8562   -9.2447    0.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0315  -10.7141   -1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0050   -9.0413   -1.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9374  -12.5877   -1.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8206  -14.7098   -2.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200  -14.7976   -5.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6673   -9.4011   -8.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9418  -10.2199   -9.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5924  -10.9933   -8.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2870  -12.4392  -10.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6315  -13.1157   -9.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2656  -11.7177  -10.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2671   -9.5457   -3.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1216   -8.2735   -3.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9402   -9.9503   -1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2341   -8.2770   -2.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724   -7.5708    1.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6211   -7.7146    5.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4350   -3.9597    3.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0009   -3.7212    2.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 59  1  0  0  0  0
  1 60  1  0  0  0  0
  1 61  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 62  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 57  2  0  0  0  0
 12 13  2  0  0  0  0
 12 63  1  0  0  0  0
 13 14  1  0  0  0  0
 13 64  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 65  1  0  0  0  0
 16 66  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 17 67  1  0  0  0  0
 18 19  1  0  0  0  0
 18 68  1  0  0  0  0
 18 69  1  0  0  0  0
 19 20  1  0  0  0  0
 19 70  1  0  0  0  0
 19 71  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  2  0  0  0  0
 22 23  2  0  0  0  0
 22 72  1  0  0  0  0
 23 24  1  0  0  0  0
 23 73  1  0  0  0  0
 24 25  2  0  0  0  0
 24 74  1  0  0  0  0
 25 26  1  0  0  0  0
 25 39  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 37  1  0  0  0  0
 29 30  1  0  0  0  0
 29 35  1  0  0  0  0
 29 75  1  0  0  0  0
 30 31  1  0  0  0  0
 30 76  1  0  0  0  0
 30 77  1  0  0  0  0
 31 32  1  0  0  0  0
 31 78  1  0  0  0  0
 31 79  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 80  1  0  0  0  0
 35 36  2  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 40 41  1  0  0  0  0
 40 81  1  0  0  0  0
 40 82  1  0  0  0  0
 41 83  1  0  0  0  0
 41 84  1  0  0  0  0
 42 43  1  0  0  0  0
 42 57  1  0  0  0  0
 43 44  1  0  0  0  0
 43 56  2  0  0  0  0
 44 45  2  0  0  0  0
 44 85  1  0  0  0  0
 45 46  1  0  0  0  0
 45 50  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 46 49  1  0  0  0  0
 50 51  2  0  0  0  0
 50 86  1  0  0  0  0
 51 52  1  0  0  0  0
 51 56  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  1  0  0  0  0
 52 55  1  0  0  0  0
 56 87  1  0  0  0  0
 57 58  1  0  0  0  0
 58 88  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-03-22, 584👍, 0💬