Molecule Editor

Molecule ID: FYI-1008108 Edit

Molecule Structure InChIKey: TXDHYFIGNLVLSL-FPBFKFRZSA-N

Molecule Structure SMILES String: COc4cc(/C=C/C(C/C(/C=C/c1ccc(O)c(OC)c1)=N\C(=O)c2ccccn2)=N\C(=O)c3cccnc3)ccc4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008108
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
   13.3367    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   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
    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 C   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
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   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
   10.9118    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491   11.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   12.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 N   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  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  6  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  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 20  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26 18  1  0  0  0  0
 27  4  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  1  0  0  0  0
 33 32  1  0  0  0  0
 34 31  2  0  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 37 36  2  0  0  0  0
 37 29  1  0  0  0  0
 38  2  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 43 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008108-3D
FYIcenter.com

 71 74  0  0  0  0  0  0  0  0999 V2000
   -1.7485    3.8015    7.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5220    4.6881    6.2002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1941    4.5789    5.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3663    4.8971    3.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8428    5.1182    2.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8704    5.7191    1.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7633    5.5759    0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185    6.2476   -0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2351    7.2781    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5903    6.9549    0.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9016    5.4655    1.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243    4.9671    2.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484    3.5819    2.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4391    2.8765    2.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2037    1.7636    3.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1803    1.2923    4.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8391    0.2788    5.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4381    1.8867    4.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5093    1.5214    5.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4336    0.3053    5.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6585    3.0334    3.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3932    7.9215    1.2440 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391    9.2526    1.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7646    9.5685    1.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8896   10.4289    1.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3778   11.7300    1.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2319   12.8329    1.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5807   12.6009    0.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0077   11.2865    0.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2029   10.1930    0.8250 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5038    6.1648   -1.8055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207    5.4949   -2.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2885    4.8076   -2.3725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0199    5.6586   -4.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1434    6.2535   -4.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3456    6.3160   -6.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3799    5.7951   -6.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7661    5.2344   -6.4228 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9364    5.1812   -5.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2079    4.9241    2.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0577    4.5651    3.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5510    4.4068    4.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4353    4.1906    5.8152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0323    2.7896    6.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597    4.2333    7.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7879    3.7242    7.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3055    5.0382    4.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1639    6.3601    2.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744    4.9434   -0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6045    7.7951    0.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4644    8.0226   -0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483    4.7911    0.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4026    5.6405    2.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6097    3.2156    2.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231    1.2920    3.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8733    0.2765    5.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3814    0.1723    6.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134   -0.5666    5.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6576    0.3362    6.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6356    3.5133    3.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164   11.9086    1.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8523   13.8460    1.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2828   13.4274    0.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0579   11.0676    0.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8962    6.6584   -3.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2509    6.7568   -6.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4986    5.8114   -7.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8741    4.7254   -4.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6475    5.1112    1.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1163    4.4423    3.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3400    4.3141    5.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 42  2  0  0  0  0
  4  5  2  0  0  0  0
  4 47  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  2  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7 49  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  2  0  0  0  0
  9 10  1  0  0  0  0
  9 50  1  0  0  0  0
  9 51  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  2  0  0  0  0
 11 12  2  0  0  0  0
 11 52  1  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 21  2  0  0  0  0
 14 15  2  0  0  0  0
 14 54  1  0  0  0  0
 15 16  1  0  0  0  0
 15 55  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 21 60  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  2  0  0  0  0
 26 61  1  0  0  0  0
 27 28  1  0  0  0  0
 27 62  1  0  0  0  0
 28 29  2  0  0  0  0
 28 63  1  0  0  0  0
 29 30  1  0  0  0  0
 29 64  1  0  0  0  0
 31 32  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 39  2  0  0  0  0
 35 36  2  0  0  0  0
 35 65  1  0  0  0  0
 36 37  1  0  0  0  0
 36 66  1  0  0  0  0
 37 38  2  0  0  0  0
 37 67  1  0  0  0  0
 38 39  1  0  0  0  0
 39 68  1  0  0  0  0
 40 41  2  0  0  0  0
 40 69  1  0  0  0  0
 41 42  1  0  0  0  0
 41 70  1  0  0  0  0
 42 43  1  0  0  0  0
 43 71  1  0  0  0  0
M  END
$$$$