Molecule Editor

Molecule ID: FYI-1000200 Edit

Molecule Structure SMILES String: COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000200
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
    6.6209    3.2225   -0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2145    2.9992   -0.4023 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8137    1.7369   -0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7560    0.7337    0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3502   -0.5505    0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0057   -0.8404    0.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0581    0.1596    0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6978   -0.1334    0.4750 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180   -1.3717    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514   -2.3212   -0.2973 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6147   -3.5234   -0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481   -3.8358   -0.6686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6079   -2.8917   -0.2679 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9497   -2.9255   -0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3928   -1.7206    0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2817   -0.8968    0.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2928    0.5298    0.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6166    1.1190    0.7100 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6037    0.6065    1.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9301    1.3465    1.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4276    1.1388    0.0491 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6129    0.0784   -0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6716    1.8935   -0.1530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3608    1.6364   -0.9302 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2037    2.7052   -0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7941    1.3957   -2.2705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0508    0.8880   -0.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1694   -1.6419    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4644    1.4517    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1082    2.9803    0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0240    2.5888   -1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8033    4.2688   -0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8077    0.9571   -0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0854   -1.3291    0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6911   -1.8451    0.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908    0.5328    0.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3344   -4.2655   -0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5743   -3.7743   -0.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4227   -1.4487    0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0746    0.5519    2.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5367    1.1024    0.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7555   -0.4595    1.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2396    0.7641    2.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6671    0.9550    2.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7820    2.4107    1.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3892    1.5854    0.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5109    2.8857   -0.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1656    1.6867   -2.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2852    1.2501   -1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2052   -0.1793   -0.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300    2.2310   -0.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 18 27  1  0  0  0  0
 16 28  2  0  0  0  0
  9 28  1  0  0  0  0
 13 28  1  0  0  0  0
  7 29  1  0  0  0  0
  3 29  2  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  8 36  1  0  0  0  0
 11 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000200-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
    6.6561    0.5851    3.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9822   -0.5339    2.4105 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2198   -0.7388    1.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0793   -0.0195    0.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3686   -0.3780   -0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7570   -1.5027   -0.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8585   -2.2873   -0.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0049   -3.5581   -1.1493 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619   -4.4393   -1.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6355   -4.4829   -2.2702 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5881   -5.4094   -2.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9579   -6.3691   -1.7694 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3704   -6.3678   -0.5709 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6378   -7.3199    0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9529   -7.0062    1.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2733   -5.7563    1.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7257   -5.0421    2.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4717   -5.6013    3.0572 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2789   -5.1415    2.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1718   -3.6263    2.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082   -2.8791    3.6271 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3161   -2.1278    4.0594 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1907   -3.7074    4.7532 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4998   -3.1734    5.0236 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2533   -5.2238    4.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4838   -5.4346   -0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6173   -1.8545    0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2904    0.5415    4.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6155    0.5658    3.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8809    1.5109    2.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972    0.7998    1.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4845    0.1832   -0.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1581   -1.7925   -1.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8593   -3.3779   -2.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0472   -5.3418   -3.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3313   -8.1170    0.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0108   -7.5520    2.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7374   -3.9626    2.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4952   -5.2272    3.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3735   -5.5584    2.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2857   -5.5375    1.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2062   -3.3217    1.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8869   -3.2999    1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2201   -2.0984    3.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7211   -2.7130    4.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199   -1.3478    4.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6474   -3.5553    5.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1737   -3.8303    4.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2986   -5.6597    4.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0137   -5.6989    5.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4761   -2.4278    0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  2  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  2  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 44  1  6  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  1  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END
$$$$