Molecule FYI-1016479

A

Molecule Summary:

ID: FYI-1016479
Names:
InChIKey: MBBCVAKAJPKAKM-UHFFFAOYSA-N
SMILES: O=C(NC4CCN(CCCCC3(C(=O)NCC(F)(F)F)c1ccccc1c2ccccc23)CC4)c5ccccc5c6ccc(C(F)(F)F)cc6

Received at FYIcenter.com on: 2026-01-12

Molecule ID: FYI-1016479 Edit

Molecule Structure InChIKey: MBBCVAKAJPKAKM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NC4CCN(CCCCC3(C(=O)NCC(F)(F)F)c1ccccc1c2ccccc23)CC4)c5ccccc5c6ccc(C(F)(F)F)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1016479
FYIcenter.com

 50 55  0  0  0  0  0  0  0  0999 V2000
   16.1750    6.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9600    6.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7452    6.8692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5303    6.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3154    6.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1004    6.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1004    4.7649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8855    4.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6706    4.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4558    4.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2409    4.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0259    4.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9525    5.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    6.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1290    6.2285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0556    7.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2321    8.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9962    7.2169    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4087    9.1575    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4681    9.5700    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8793    2.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8180    1.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0736    1.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5071    2.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057    3.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4334    3.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9387    6.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2427    5.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444    4.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3154    4.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5303    4.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9600    4.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7452    4.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7452    2.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9600    1.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1750    2.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1750    4.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3899    4.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6048    4.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8197    4.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8197    6.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0346    6.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3331    8.0842    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   22.2495    7.5706    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   21.7360    5.6543    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.6048    6.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3899    6.1678    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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 21 12  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
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  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  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
 32 12  1  0  0  0  0
 33  7  1  0  0  0  0
 34 33  1  0  0  0  0
 34  4  1  0  0  0  0
 35  2  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 40 35  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 45  1  0  0  0  0
 48 45  1  0  0  0  0
 49 44  1  0  0  0  0
 50 49  2  0  0  0  0
 50 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016479-3D
FYIcenter.com

 87 92  0     0  0  0  0  0  0999 V2000
    8.2393   -1.3711    3.3416 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4399   -0.1555    3.5394 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2947   -2.2230    2.8449 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0123   -3.5826   -1.4503 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3918   -3.7654   -3.1140 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2787   -1.9196   -2.8260 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8145    1.9096    1.3289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1843    2.2892   -0.4230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6748    3.1050   -0.9803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2649    1.5814    0.6686 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9456   -0.3373    0.7344 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527    0.9537    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895    2.3753    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1967    2.4440   -0.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0539   -0.0394    0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2349    0.3955   -1.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3560    2.4912    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6527    3.8736   -0.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3390    3.9405   -1.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1827    3.7574    0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7656    2.8064   -1.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2066    2.8734    0.9488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8085    1.8891   -1.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7109   -1.0212   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4338   -0.7550   -1.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3552    0.9142    0.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048   -0.0570    1.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0404    0.8759   -2.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8132   -2.0293   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4345   -1.4325   -2.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6006   -1.0729    2.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0406    0.1927   -3.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2580   -2.0494    1.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2452   -0.9501   -3.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2148   -0.6332    1.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6223    1.5583    0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4280    0.5807    1.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0396   -1.0988    2.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1747   -0.7898    1.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4606    1.0660    1.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1085   -1.3232    0.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9541   -1.6748    1.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2399    0.1810    2.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9867   -1.1894    2.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0712   -2.0500    0.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1197   -1.1088   -1.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0449   -2.5622    0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0935   -1.6209   -1.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0562   -2.3476   -1.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9589   -2.8944   -2.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2198    3.0695   -0.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2995    2.7317    1.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433    1.7881   -0.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3488    2.1118   -1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9137    3.4027   -0.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3840    4.5156   -1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5508    4.2788    0.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0056    4.9816   -1.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    3.5813   -2.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6411    4.7264   -0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3770    3.9481    0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2477    3.7303   -2.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670    2.2951   -2.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7085    1.9685    1.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5972    3.3987    1.8291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6245    1.7108   -1.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3536    0.9112   -1.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7663    0.6945    2.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6565    1.7581   -2.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8847    0.9291    1.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -2.7911   -0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8261   -2.3170   -2.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4807   -1.1116    0.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1553   -1.1095    3.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6627    0.5484   -4.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5507   -2.8303    1.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2614   -1.4657   -4.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6981   -1.4125    0.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8455    0.2612    1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6679    2.1316    2.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7799   -2.7478    1.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0438    0.5589    3.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5946   -1.8784    3.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0389   -2.2219    1.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9250   -0.5588   -1.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2440   -3.1232    0.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1116   -1.4503   -2.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  2 38  1  0  0  0  0
  3 38  1  0  0  0  0
  4 50  1  0  0  0  0
  5 50  1  0  0  0  0
  6 50  1  0  0  0  0
  7 26  2  0  0  0  0
  8 36  2  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 17  1  0  0  0  0
 10 36  1  0  0  0  0
 10 70  1  0  0  0  0
 11 26  1  0  0  0  0
 11 35  1  0  0  0  0
 11 73  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 14 18  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  1  0  0  0  0
 15 24  1  0  0  0  0
 15 27  2  0  0  0  0
 16 25  1  0  0  0  0
 16 28  2  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 55  1  0  0  0  0
 18 19  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 22  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 21 23  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  2  0  0  0  0
 25 30  2  0  0  0  0
 27 31  1  0  0  0  0
 27 68  1  0  0  0  0
 28 32  1  0  0  0  0
 28 69  1  0  0  0  0
 29 33  1  0  0  0  0
 29 71  1  0  0  0  0
 30 34  1  0  0  0  0
 30 72  1  0  0  0  0
 31 33  2  0  0  0  0
 31 74  1  0  0  0  0
 32 34  2  0  0  0  0
 32 75  1  0  0  0  0
 33 76  1  0  0  0  0
 34 77  1  0  0  0  0
 35 38  1  0  0  0  0
 35 78  1  0  0  0  0
 35 79  1  0  0  0  0
 36 37  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
 39 41  1  0  0  0  0
 39 42  2  0  0  0  0
 40 43  1  0  0  0  0
 40 80  1  0  0  0  0
 41 45  2  0  0  0  0
 41 46  1  0  0  0  0
 42 44  1  0  0  0  0
 42 81  1  0  0  0  0
 43 44  2  0  0  0  0
 43 82  1  0  0  0  0
 44 83  1  0  0  0  0
 45 47  1  0  0  0  0
 45 84  1  0  0  0  0
 46 48  2  0  0  0  0
 46 85  1  0  0  0  0
 47 49  2  0  0  0  0
 47 86  1  0  0  0  0
 48 49  1  0  0  0  0
 48 87  1  0  0  0  0
 49 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 130👍, 0💬