Molecule FYI-1001189

Home > Molecule

A

Molecule Summary:

ID: FYI-1001189
SMILES: CNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)Nc3ccccc3-c3nc(C)no3)n2)CC1c1nccn1C

Received at FYIcenter.com on: 2022-02-28

Molecule ID: FYI-1001189 Edit

Molecule Structure SMILES String: CNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)Nc3ccccc3-c3nc(C)no3)n2)CC1c1nccn1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001189
FYIcenter.com

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.4871   19.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   18.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   17.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   18.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   16.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   15.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   16.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   15.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   14.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   13.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   12.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   11.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.3624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.7624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4909    1.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1216    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5520    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216    2.4915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583    3.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.2624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   13.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   13.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210   12.0701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904   11.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904   12.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536   14.0318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8447   15.4013    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  2  0  0  0  0
  5  3  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  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  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  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  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
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  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 31  2  0  0  0  0
 34 33  1  0  0  0  0
 34 29  1  0  0  0  0
 35 19  2  0  0  0  0
 35 15  1  0  0  0  0
 36  9  1  0  0  0  0
 37 36  1  0  0  0  0
 37  6  1  0  0  0  0
 38 37  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
 42 38  1  0  0  0  0
 43 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001189-3D
FYIcenter.com

 73 77  0  0  1  0  0  0  0  0999 V2000
    0.7108    1.2244   -1.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1267    1.0453   -1.1562 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0397    1.8801   -1.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7628    2.7021   -2.6409 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4600    1.6490   -1.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4336    1.2831    0.2223 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9600    2.4659    1.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8307    3.7554    1.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1947    3.4188    1.4349 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0002    4.3144    2.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5295    5.3060    2.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5518    4.1027    2.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2336    3.6711    1.4740 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1046    4.6471    3.5567 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4547    4.4019    3.9143 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2044    5.4287    4.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5514    5.2027    4.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1013    3.9480    4.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2807    2.9630    4.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8608    1.5818    3.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9845    1.3221    4.2790 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0388    0.7236    3.1524 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3037   -0.6286    2.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3594   -1.3871    3.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4972   -2.7349    2.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5783   -3.3547    2.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5388   -2.6115    1.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4469   -1.2499    1.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5426   -0.4607    1.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5134   -0.1504   -0.1625 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    0.7748   -0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7228    1.1196   -1.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0627    1.0515    1.0838 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6695    0.1782    1.9048 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9770    3.1668    3.7112 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6708    2.2947    0.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8113    0.9203    0.7229 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3743   -0.5352    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6481   -0.8900    0.1574 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8186   -2.1368   -0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5929   -2.7050   -0.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6950   -1.7105   -0.1442 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2861   -1.9697   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2329    0.2588   -1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4583    1.6071   -2.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3908    1.9357   -0.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4933    0.5971   -0.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0254    2.5560   -1.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8891    0.8298   -1.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8766    2.1039    2.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9469    2.7451    0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4188    4.4938    1.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8634    4.2295    0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    5.4587    3.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7920    6.4202    4.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1787    5.9999    5.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1434    3.7391    4.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1683    1.1589    2.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0913   -0.9739    3.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3524   -3.3048    3.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6790   -4.3971    1.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8163   -3.0534    0.8291 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0087    0.4607   -2.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8066    2.1662   -1.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6464    0.9424   -1.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6782    2.2758    0.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6822    2.6714   -0.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7324    0.7173    1.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7982   -2.5460   -0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3069   -3.7027   -0.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1226   -2.9877   -0.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8275   -1.2662   -0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9087   -1.9023    0.8522 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
  2 47  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 48  1  0  0  0  0
  5 49  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 50  1  0  0  0  0
  7 51  1  0  0  0  0
  8  9  1  0  0  0  0
  8 52  1  0  0  0  0
  8 53  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  2  0  0  0  0
 16 17  2  0  0  0  0
 16 55  1  0  0  0  0
 17 18  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  2  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 58  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 59  1  0  0  0  0
 25 26  1  0  0  0  0
 25 60  1  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  1  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
 33 34  1  0  0  0  0
 36 37  1  0  0  0  0
 36 66  1  0  0  0  0
 36 67  1  0  0  0  0
 37 38  1  0  0  0  0
 37 68  1  0  0  0  0
 38 39  2  0  0  0  0
 38 42  1  0  0  0  0
 39 40  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
 43 72  1  0  0  0  0
 43 73  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 2349👍, 0💬