Molecule FYI-1003892

A

Molecule Summary:

ID: FYI-1003892
Names:
InChIKey: NYBFRDZMJMFYDY-UHFFFAOYSA-N
SMILES: CCc4nc(C(N)=O)c(Nc3ccc(N2CCC(N1CCN(C)CC1)CC2)c(OC)c3)nc4NC5CCOCC5C

Received at FYIcenter.com on: 2023-08-04

Molecule ID: FYI-1003892 Edit

Molecule Structure InChIKey: NYBFRDZMJMFYDY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc4nc(C(N)=O)c(Nc3ccc(N2CCC(N1CCN(C)CC1)CC2)c(OC)c3)nc4NC5CCOCC5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003892
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
    1.2124   18.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   16.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   16.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   14.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   14.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   14.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   16.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   16.8001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   16.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   18.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   11.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.6001    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  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  6  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  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  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
 24 19  1  0  0  0  0
 25 22  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
 30 25  1  0  0  0  0
 31 28  1  0  0  0  0
 32 15  1  0  0  0  0
 33 32  1  0  0  0  0
 34  4  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  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 40 35  1  0  0  0  0
 41 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003892-3D
FYIcenter.com

 87 91  0  0  1  0  0  0  0  0999 V2000
    3.4186   -0.0734    7.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2999    0.9464    7.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2887    1.5342    6.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2658    1.0539    5.5006 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6539    1.8937    4.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    1.5185    3.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2727    0.1784    3.8884 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6767    2.3413    3.3020 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438    3.1394    4.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6880    4.0546    3.4377 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    5.4400    3.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2041    5.9582    3.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0044    7.3323    3.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0554    8.2221    3.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6973    9.5649    3.7099 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4507   10.3491    4.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5300   11.4579    5.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0677   12.3892    4.0184 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0667   13.3775    3.5216 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9446   13.9616    4.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2143   14.8634    5.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5332   16.0009    4.9443 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7187   16.7232    5.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7088   15.5570    3.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4024   14.5355    2.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5187   11.5143    2.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3952   10.3098    2.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3549    7.6907    3.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3806    8.5634    3.9804 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7089    8.1147    3.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5452    6.3083    3.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8915    3.4758    5.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5094    2.6887    6.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3716    2.9715    6.8084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6535    3.9759    6.4568 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2654    5.4232    6.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5074    5.8628    8.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6948    5.3537    8.8511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8653    3.9521    8.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0009    3.6817    7.1770 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6116    2.3176    6.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5291   -0.2873    9.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3897    0.2945    7.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2043   -1.0108    7.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4918    1.7796    8.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3293    0.5091    7.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7266   -0.4487    4.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1804   -0.0955    3.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6976    3.8569    3.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3689    5.2895    2.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9958    7.7126    3.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3623   10.7677    4.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7261    9.7402    5.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0065   12.0008    5.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360   10.9998    5.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162   12.9446    4.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7166   14.5616    4.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5144   13.1842    5.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595   15.2493    6.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   14.2653    6.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3313   17.0586    6.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9064   16.1026    6.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2767   17.6193    5.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4403   16.4392    3.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687   15.1192    4.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1683   15.0683    2.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6706   14.1973    2.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   12.1030    1.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5341   11.1355    3.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3209   10.6302    1.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8418    9.6931    1.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3840    8.9492    3.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8450    7.8287    2.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9881    7.2996    4.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5233    5.8758    3.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5408    2.8649    7.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8360    3.9112    5.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9053    6.0669    6.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7648    5.6534    6.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6096    6.9552    8.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3437    5.6125    8.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7763    3.6651    9.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0358    3.4110    9.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7247    4.4198    6.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440    1.4939    7.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8731    2.2404    5.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5422    2.1918    7.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  2 45  1  0  0  0  0
  2 46  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 47  1  0  0  0  0
  7 48  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  2  0  0  0  0
 10 11  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  2  0  0  0  0
 12 13  2  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 51  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  2  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 18  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 18 56  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 22  1  0  0  0  0
 21 59  1  0  0  0  0
 21 60  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 25  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 27  1  0  0  0  0
 26 68  1  0  0  0  0
 26 69  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
 31 75  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 76  1  0  0  0  0
 35 36  1  0  0  0  0
 35 40  1  0  0  0  0
 35 77  1  0  0  0  0
 36 37  1  0  0  0  0
 36 78  1  0  0  0  0
 36 79  1  0  0  0  0
 37 38  1  0  0  0  0
 37 80  1  0  0  0  0
 37 81  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 82  1  0  0  0  0
 39 83  1  0  0  0  0
 40 41  1  0  0  0  0
 40 84  1  0  0  0  0
 41 85  1  0  0  0  0
 41 86  1  0  0  0  0
 41 87  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1505👍, 0💬