Molecule FYI-1011853

A

Molecule Summary:

ID: FYI-1011853
Names:
InChIKey: PJTFZVIAIYZYFB-UHFFFAOYSA-N
SMILES: O=C(CCCCCCCOc3ccc(c2coc1cc(O)cc(O)c1c2=O)cc3)NCCOCCOCCNc5cccc6c(=O)n(C4CCC(=O)NC4=O)c(=O)c56

Received at FYIcenter.com on: 2024-08-12

Molecule ID: FYI-1011853 Edit

Molecule Structure InChIKey: PJTFZVIAIYZYFB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCCCCCCOc3ccc(c2coc1cc(O)cc(O)c1c2=O)cc3)NCCOCCOCCNc5cccc6c(=O)n(C4CCC(=O)NC4=O)c(=O)c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1011853
FYIcenter.com

 58 63  0  0  0  0  0  0  0  0999 V2000
   30.3259    6.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.6954    6.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2647    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5647    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1647    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4647    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1647    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5647    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2647    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4647    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.4647    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6570    4.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9481    6.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9481    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    9.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    8.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2486    9.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    8.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989   10.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5939    3.9557    0.0000 O   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
  9  4  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  2  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  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  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  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
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  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  1  0  0  0  0
 45 44  2  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 46  2  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
 51 49  2  0  0  0  0
 51 44  1  0  0  0  0
 52 45  1  0  0  0  0
 52 41  1  0  0  0  0
 53 52  2  0  0  0  0
 54 40  1  0  0  0  0
 55 54  2  0  0  0  0
 55 37  1  0  0  0  0
 56 28  2  0  0  0  0
 57 17  2  0  0  0  0
 57 13  1  0  0  0  0
 57  2  1  0  0  0  0
 58 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011853-3D
FYIcenter.com

104109  0  0  1  0  0  0  0  0999 V2000
    0.4795   -0.4471   -0.9698 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6639   -0.4793   -0.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -0.4206    0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1877    0.7269    0.6859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9756    2.2366    0.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4569    2.8518    0.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6952    3.6090    0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3541    4.8674    1.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9174    4.6410    2.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4765    5.7139    3.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1285    5.2707    4.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9585    4.0448    5.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8529    3.6222    6.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9673    4.4027    6.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2105    3.7120    7.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3877    4.2850    6.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2361    3.7213    5.8917 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5967    2.8059    5.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6790    2.9238    3.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9375    2.0413    2.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8321    2.2221    1.5703 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2313    0.9787    3.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1359    0.8832    4.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3596   -0.0898    5.4233 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7558    1.8518    5.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3117    2.1951    7.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9621    1.4234    7.8884 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9907    5.7178    6.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0928    6.1353    5.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6532   -0.3399   -1.6644 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897    0.2816   -2.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3337    1.8067   -2.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0506    2.2543   -4.1416 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7707    3.6398   -4.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0306    4.4925   -4.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8003    5.8965   -4.2059 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9286    6.4594   -3.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3749    6.2134   -1.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5130    6.9063   -0.7423 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5975    6.8083    0.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2364    7.9754    1.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    8.0084    2.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3494    6.8389    3.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5444    5.6574    2.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0486    4.4061    3.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4381    3.8217    4.3849 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1668    4.0089    2.8516 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1919    2.6668    3.5494 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7727    2.0247    3.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0701    0.7449    2.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1861   -0.3326    2.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -1.4398    2.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2046    0.0623    3.6714 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557    1.2928    3.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034    1.2133    4.5993 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0362    4.8495    1.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7392    5.1078    0.6688 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8280    5.6740    1.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587   -1.3485    0.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4278   -0.3446    1.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0384    0.5216    0.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5154    0.6047    1.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587    2.3783    1.5326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3446    2.6589   -0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8548    1.9893    1.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5214    3.4081    1.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4487    4.0418   -0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970    2.8738    0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6192    5.6631    1.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1527    5.3198    0.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7246    3.9044    2.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0710    4.3532    3.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1816    3.3440    5.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7322    2.6213    6.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5936    5.3485    6.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2468    3.7392    3.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1599    3.1115    1.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6905    0.2964    2.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3196   -0.8455    4.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7832    6.4110    6.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2179    7.1131    4.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6135   -0.5619   -1.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4366   -0.1012   -3.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1824   -0.0228   -3.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2997    2.2061   -2.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5617    2.1431   -2.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778    3.9275   -3.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3587    3.7916   -5.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7329    4.2077   -4.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5634    4.2838   -3.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9071    6.1099   -3.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100    7.5352   -3.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4033    6.5834   -1.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3669    5.1409   -1.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4086    7.8802   -1.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0477    8.9049    0.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1443    8.9665    3.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4606    6.8743    4.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4227    3.1724    4.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2594    1.7913    4.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3907    2.6917    2.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1327    0.4737    2.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9637    0.8011    1.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -0.7232    3.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 59  1  0  0  0  0
  3 60  1  0  0  0  0
  4  5  1  0  0  0  0
  4 61  1  0  0  0  0
  4 62  1  0  0  0  0
  5  6  1  0  0  0  0
  5 63  1  0  0  0  0
  5 64  1  0  0  0  0
  6  7  1  0  0  0  0
  6 65  1  0  0  0  0
  6 66  1  0  0  0  0
  7  8  1  0  0  0  0
  7 67  1  0  0  0  0
  7 68  1  0  0  0  0
  8  9  1  0  0  0  0
  8 69  1  0  0  0  0
  8 70  1  0  0  0  0
  9 10  1  0  0  0  0
  9 71  1  0  0  0  0
  9 72  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  2  0  0  0  0
 12 13  2  0  0  0  0
 12 73  1  0  0  0  0
 13 14  1  0  0  0  0
 13 74  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  2  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 75  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  2  0  0  0  0
 19 20  2  0  0  0  0
 19 76  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 77  1  0  0  0  0
 22 23  2  0  0  0  0
 22 78  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 79  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 80  1  0  0  0  0
 29 81  1  0  0  0  0
 30 31  1  0  0  0  0
 30 82  1  0  0  0  0
 31 32  1  0  0  0  0
 31 83  1  0  0  0  0
 31 84  1  0  0  0  0
 32 33  1  0  0  0  0
 32 85  1  0  0  0  0
 32 86  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 87  1  0  0  0  0
 34 88  1  0  0  0  0
 35 36  1  0  0  0  0
 35 89  1  0  0  0  0
 35 90  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 91  1  0  0  0  0
 37 92  1  0  0  0  0
 38 39  1  0  0  0  0
 38 93  1  0  0  0  0
 38 94  1  0  0  0  0
 39 40  1  0  0  0  0
 39 95  1  0  0  0  0
 40 41  1  0  0  0  0
 40 58  2  0  0  0  0
 41 42  2  0  0  0  0
 41 96  1  0  0  0  0
 42 43  1  0  0  0  0
 42 97  1  0  0  0  0
 43 44  2  0  0  0  0
 43 98  1  0  0  0  0
 44 45  1  0  0  0  0
 44 58  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 56  1  0  0  0  0
 48 49  1  0  0  0  0
 48 54  1  0  0  0  0
 48 99  1  0  0  0  0
 49 50  1  0  0  0  0
 49100  1  0  0  0  0
 49101  1  0  0  0  0
 50 51  1  0  0  0  0
 50102  1  0  0  0  0
 50103  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 53104  1  0  0  0  0
 54 55  2  0  0  0  0
 56 57  2  0  0  0  0
 56 58  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1132👍, 0💬