Molecule Editor

Molecule ID: FYI-1004594 Edit

Molecule Structure InChIKey: OUHJFGYRKHBBBB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN5CCN(Cc4ccc(Nc3ncc(COC)c(c2cc(F)c1nc(C)n(C(C)C)c1c2)n3)nc4)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004594
FYIcenter.com

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.2747   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    7.2367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657    8.3693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6289    9.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0615   10.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2595    9.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580    9.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  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
 22 17  1  0  0  0  0
 23 21  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
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
 30 26  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 32 25  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 31  1  0  0  0  0
 37 20  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004594-3D
FYIcenter.com

 76 80  0  0  0  0  0  0  0  0999 V2000
   14.0579    8.2333    9.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0357    7.3658    7.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7020    6.8556    7.4727 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8012    5.9616    6.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0210    6.7029    4.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0085    7.7387    4.6419 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6756    7.1963    4.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6509    6.2460    3.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8057    4.8813    3.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8399    4.0202    2.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7147    4.5106    0.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7955    3.6524   -0.1355 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5338    2.4783   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3352    2.1205    0.7606 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0145    0.9792    0.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9280    0.1257   -0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7332   -1.1342   -0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5764   -1.2261   -1.4948 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2110   -2.4954   -1.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0800    0.5543   -1.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8513   -0.1922   -2.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7623   -1.5938   -2.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7411   -2.3079   -3.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7775   -3.6478   -3.8861 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.7050   -1.6205   -5.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6920   -2.0953   -6.4273 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6329   -1.0391   -7.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6108   -1.1476   -8.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5891    0.1281   -6.4705 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5212    1.5154   -6.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9189    2.1008   -7.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6404    1.7723   -8.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6726   -0.2311   -5.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7473    0.5027   -3.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4084    1.7412   -1.3641 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4935    5.8252    0.7450 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4859    6.6587    1.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9121    8.6388    5.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7145    7.9146    7.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0944    8.4644    9.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5965    7.7199    9.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5461    9.1872    8.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6880    6.5056    8.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4962    7.9256    7.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8779    5.3728    6.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6006    5.2243    6.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1183    5.9792    4.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0021    7.1956    4.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0051    8.0320    4.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2146    6.6916    5.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9304    4.4729    4.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9707    2.9621    2.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6156    4.1001   -1.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6508    0.7651    1.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0709   -2.0011   -0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3718   -1.1433    0.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8678   -2.4986   -2.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4650   -3.2877   -1.6913 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8118   -2.6771   -0.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7379   -2.1811   -1.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7513   -2.1933   -8.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4151   -0.5653   -9.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6436   -0.8334   -9.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0422    2.0699   -6.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4798    1.5494   -7.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4960    2.0649   -6.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8596    3.1495   -7.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0961    1.4034   -9.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4908    2.8491   -8.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6547    1.3098   -8.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7604    1.5898   -3.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3360    7.7087    1.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1025    9.3640    5.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8317    9.2363    5.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7206    7.4485    7.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6700    8.6527    7.9832 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2  3  1  0  0  0  0
  2 43  1  0  0  0  0
  2 44  1  0  0  0  0
  3  4  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 45  1  0  0  0  0
  4 46  1  0  0  0  0
  5  6  1  0  0  0  0
  5 47  1  0  0  0  0
  5 48  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 49  1  0  0  0  0
  7 50  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  2  0  0  0  0
  9 10  2  0  0  0  0
  9 51  1  0  0  0  0
 10 11  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  2  0  0  0  0
 12 13  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 54  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  2  0  0  0  0
 22 23  2  0  0  0  0
 22 60  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 33  2  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
 29 30  1  0  0  0  0
 29 33  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 64  1  0  0  0  0
 31 65  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 32 68  1  0  0  0  0
 32 69  1  0  0  0  0
 32 70  1  0  0  0  0
 33 34  1  0  0  0  0
 34 71  1  0  0  0  0
 36 37  1  0  0  0  0
 37 72  1  0  0  0  0
 38 39  1  0  0  0  0
 38 73  1  0  0  0  0
 38 74  1  0  0  0  0
 39 75  1  0  0  0  0
 39 76  1  0  0  0  0
M  END
$$$$