Molecule Editor

Molecule ID: FYI-1003924 Edit

Molecule Structure InChIKey: ROIHFACUXGZYPL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc4nc(C(N)=O)c(Nc3ccc(N2CCC(N1CCN(C)C(S)C1)CC2)c(OC)c3)nc4NC5CCOCC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003924
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
    1.2120   18.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120   16.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   16.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   14.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362   13.9957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   14.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   16.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362   16.7948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603   16.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721   16.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603   18.1944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603   13.9957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603   12.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   11.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   10.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    9.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721   10.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721   11.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    8.3974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    7.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    5.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    7.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    4.1987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    3.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    1.3996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    3.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362    9.7970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362    8.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120   13.9957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120   12.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    9.7970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   10.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   11.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6181    1.3891    0.0000 S   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
 27 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003924-3D
FYIcenter.com

 85 89  0  0  1  0  0  0  0  0999 V2000
    1.0545   -1.2155    7.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9166    0.0018    7.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1048    0.8439    6.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1681    0.4342    5.6084 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    1.3507    4.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9607    1.0068    4.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2974   -0.3236    4.0959 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7351    1.8592    3.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0544    2.6152    4.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7405    3.5958    3.8102 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4871    4.9778    3.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2145    5.4802    3.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9748    6.8391    3.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9837    7.7333    4.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5681    9.0422    4.5057 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034    9.7610    5.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035   10.8747    6.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0219   11.8738    4.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1039   12.7763    4.4464 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.0812   13.2110    5.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5613   14.2699    6.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0573   15.5098    5.8422 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1746   16.2900    5.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0454   15.1138    4.8371 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2482   16.5162    3.9841 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   14.0173    3.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4097   11.0621    3.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2581    9.8630    3.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2906    7.2247    4.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2909    8.0998    4.7102 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6248    7.7230    4.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5268    5.8554    4.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8605    2.9075    5.2036 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3809    2.0393    6.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1872    2.2889    6.8081 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    3.3484    6.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4076    4.7510    6.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7866    5.0657    8.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0838    4.5964    8.7487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483    3.2071    8.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1591    2.9607    6.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1864   -1.8999    8.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3243   -1.7528    6.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0032   -0.9433    7.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9194   -0.3251    7.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592    0.6121    8.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7083   -0.9930    4.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2179   -0.5936    3.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7494    3.4104    3.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4015    4.8111    3.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9486    7.1969    3.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2353   10.1816    5.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5426    9.0983    6.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8696   11.3676    6.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4794   10.4251    6.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181   12.4877    5.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9484   13.6225    4.9421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5051   12.3625    6.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3559   14.5168    7.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7534   13.8398    7.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9298   16.4593    6.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598   17.2880    4.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6814   15.8118    4.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116   14.6815    5.4004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3638   17.0776    3.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   14.4436    3.1798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7062   13.7492    3.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086   11.6924    2.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281   10.6867    4.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1818   10.1937    2.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810    9.2967    2.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2726    8.5782    4.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7238    7.4846    3.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687    6.8936    5.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125    5.4404    4.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2565    2.1096    7.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8572    3.3762    5.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9589    5.4621    6.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6539    4.9683    6.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8065    6.1534    8.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0491    4.6639    9.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2348    2.9148    8.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5049    2.6343    9.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9160    3.5924    6.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034    1.9180    6.7715 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 34  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 33  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 32  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 29  2  0  0  0  0
 15 16  1  0  0  0  0
 15 28  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 27  1  0  0  0  0
 18 56  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  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 26  1  0  0  0  0
 24 64  1  0  0  0  0
 25 65  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 27 28  1  0  0  0  0
 27 68  1  0  0  0  0
 27 69  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 31 72  1  0  0  0  0
 31 73  1  0  0  0  0
 31 74  1  0  0  0  0
 32 75  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 76  1  0  0  0  0
 36 37  1  0  0  0  0
 36 41  1  0  0  0  0
 36 77  1  0  0  0  0
 37 38  1  0  0  0  0
 37 78  1  0  0  0  0
 37 79  1  0  0  0  0
 38 39  1  0  0  0  0
 38 80  1  0  0  0  0
 38 81  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 82  1  0  0  0  0
 40 83  1  0  0  0  0
 41 84  1  0  0  0  0
 41 85  1  0  0  0  0
M  END
$$$$