Molecule Editor

Molecule ID: FYI-1006408 Edit

Molecule Structure InChIKey: JDIIRSIVQCCZFA-UHFFFAOYSA-L

Molecule Structure SMILES String: CCc4cc3C(=O)c1c(n(P(=O)([O-])[O-])c2cc(C#N)ccc12)C(C)(C)c3cc4N6CCC(N5CCOCC5)CC6

Download SDF Download SVG Structure in 2D SDF:

FYI-1006408
FYIcenter.com

 40 45  0  0  0  0  0  0  0  0999 V2000
    9.8414   10.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6289   11.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4165   10.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4165    9.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041    8.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041    7.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4165    6.4853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916    6.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    7.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389    6.2485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    6.5396    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6605    7.9090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8306    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0784    5.1701    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3083    4.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5617    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9923    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9540    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5235    3.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7006    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    8.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    9.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    8.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916    9.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916   10.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041   11.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041   12.7852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4165   13.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4165   14.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041   15.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041   16.9852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4165   17.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4165   19.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041   19.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916   19.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916   17.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916   14.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916   13.4852    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  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  3  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  8  1  0  0  0  0
 22 15  1  0  0  0  0
 23  9  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
 26  5  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28  3  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  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 33  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
 38 33  1  0  0  0  0
 39 32  1  0  0  0  0
 40 39  1  0  0  0  0
 40 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006408-3D
FYIcenter.com

 73 78  0  0  0  0  0  0  0  0999 V2000
    2.2899   -1.5392   -0.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118   -0.1948   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8844   -0.2207    1.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1444   -1.4862    1.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081   -1.5916    3.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8422   -2.9314    3.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241   -3.9700    3.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3066   -2.8743    5.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5983   -1.6830    5.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916   -1.8829    7.2414 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4879   -0.6640    8.4398 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2774   -1.2065    9.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8496   -1.3787    8.3379 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9702    0.5207    9.6046 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9684   -3.2947    7.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3027   -4.0308    8.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -5.4197    8.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5604   -6.2011    9.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8214   -6.9099   10.5702 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8001   -6.0593    7.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4692   -5.3221    6.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5600   -3.9166    6.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4842   -0.3253    5.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890    0.4997    6.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8846    0.2957    5.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8864   -0.4139    3.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6642    0.8080    3.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0757    0.9656    2.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6086    2.2512    1.7340 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4901    3.1990    2.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4854    4.2797    2.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    5.0807    1.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0344    6.0331    1.4550 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1304    6.7408    2.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1052    7.8721    2.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2232    8.8489    1.9048 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0175    8.2265    0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0174    7.0763    0.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2020    4.0571    0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1633    2.9267    0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9662   -1.3986   -1.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5702   -2.1911   -0.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2633   -2.0454   -0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4527    0.3330   -0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1551    0.3585   -0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9820   -2.4259    1.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6242   -3.4881    9.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7312   -7.1443    7.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1511   -5.8224    5.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7883    0.6233    7.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5053    0.0061    6.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3236    1.5167    5.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6364   -0.0184    5.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8456    1.3907    5.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2900    0.0034    4.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721    1.6913    3.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4599    3.6353    3.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0886    2.6970    3.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3085    4.9192    3.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5254    3.7915    2.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0129    5.6474    1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1315    7.1921    2.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1032    6.0519    3.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897    8.3863    3.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0770    7.4935    2.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1524    8.9957   -0.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9777    7.8856    0.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0270    7.5042    0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8309    6.6432   -0.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5799    4.5451   -0.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2462    3.5966   -0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763    3.2989    0.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2327    2.2655   -0.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  2 44  1  0  0  0  0
  2 45  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  2  0  0  0  0
  4  5  2  0  0  0  0
  4 46  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  2  0  0  0  0
 16 17  2  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  3  0  0  0  0
 20 21  2  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 56  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 40  1  0  0  0  0
 30 31  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 32  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 33  1  0  0  0  0
 32 39  1  0  0  0  0
 32 61  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  1  0  0  0  0
 34 35  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
 35 36  1  0  0  0  0
 35 64  1  0  0  0  0
 35 65  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 66  1  0  0  0  0
 37 67  1  0  0  0  0
 38 68  1  0  0  0  0
 38 69  1  0  0  0  0
 39 40  1  0  0  0  0
 39 70  1  0  0  0  0
 39 71  1  0  0  0  0
 40 72  1  0  0  0  0
 40 73  1  0  0  0  0
M  END
$$$$