Molecule FYI-1016465

A

Molecule Summary:

ID: FYI-1016465
Names:
InChIKey: DDOGOICWMZYONV-UHFFFAOYSA-N
SMILES: CCc4cc3C(=O)c1c(n(C(=O)ONC(C(=O)O)C(C)C)c2cc(C#N)ccc12)C(C)(C)c3cc4N6CCC(N5CCOCC5)CC6

Received at FYIcenter.com on: 2026-01-10

Molecule ID: FYI-1016465 Edit

Molecule Structure InChIKey: DDOGOICWMZYONV-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016465
FYIcenter.com

 47 52  0  0  0  0  0  0  0  0999 V2000
    7.2779    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2147    4.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7821    6.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7188    7.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2862    8.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9169    8.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9801    7.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4127    6.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4759    5.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1065    5.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1697    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6023    3.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9717    3.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9085    4.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2961    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3593    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7919    0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1613    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4842   10.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4439   11.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1528    9.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210   11.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904   10.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904   12.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536   13.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862   14.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3556   14.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924   13.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8598   12.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7882   16.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2209   17.5246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   12.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.3697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2230    9.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5924    9.3637    0.0000 O   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  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21  6  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
 32 29  1  0  0  0  0
 33 32  3  0  0  0  0
 34 27  1  0  0  0  0
 34 24  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  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
 41 40  1  0  0  0  0
 42 40  1  0  0  0  0
 43 39  1  0  0  0  0
 44 43  1  0  0  0  0
 45 43  2  0  0  0  0
 46 25  1  0  0  0  0
 46  5  1  0  0  0  0
 47 46  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016465-3D
FYIcenter.com

 90 95  0  0  1  0  0  0  0  0999 V2000
    2.3241   -1.8465    0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5349   -0.3636    0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8752    0.5522    1.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5745    0.0041    2.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9246    0.7725    3.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6093    0.1549    4.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9023   -1.0377    4.6502 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857    1.0396    5.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5688    2.3860    5.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9098    2.9762    7.0263 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6617    4.3363    7.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1638    5.1559    6.6755 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501    4.5268    8.7570 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2392    5.7003    9.2985 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1128    6.3610   10.2995 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5082    5.3411   11.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5062    4.6363   11.3423 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5860    5.2230   12.3677 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3442    7.0884    9.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9330    8.1437    8.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1531    7.7933   10.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4584    1.9452    7.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9577    1.9493    9.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3790    0.7543    9.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8363    0.7559   11.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1900    0.7415   12.1917 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3377   -0.4317    9.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8777   -0.4417    7.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4283    0.7509    7.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646    3.0778    4.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    3.4385    5.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7776    4.1866    4.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6052    2.1239    3.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9639    2.6600    2.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5540    1.9319    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9355    2.6783    0.1981 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0119    2.3246   -1.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0801    3.5996   -2.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8416    4.4962   -1.8586 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4467    3.9745   -2.3820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    3.1723   -3.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1446    3.9889   -4.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1719    4.9702   -5.0765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2113    5.8458   -3.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4304    5.0678   -2.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7341    4.7941   -0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7799    3.5389    0.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0629   -2.3580   -0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5050   -1.9992    1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2236   -2.3330    0.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951   -0.0321   -0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3318   -0.2681   -0.6954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8472   -1.0494    2.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    5.2356    9.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5002    7.1306   10.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    5.8448   12.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0025    6.3599    9.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3032    8.9177    9.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3798    7.7010    7.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8170    8.6384    8.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5501    8.5544   11.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0335    8.2895   10.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5118    7.0903   11.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0188    2.8512    9.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6600   -1.3644    9.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8504   -1.3796    7.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3679    4.0633    5.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8850    2.5157    5.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8338    3.9351    4.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2989    4.7878    4.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2384    4.8792    3.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5869    3.7381    3.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7853    3.7334    2.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1423    1.7240   -1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9225    1.7605   -1.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2450    3.3547   -3.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9674    4.1704   -1.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    5.4382   -2.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3422    2.6593   -3.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3595    2.3667   -3.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1805    3.3247   -5.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8334    4.4830   -4.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0405    6.5433   -4.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2885    6.4360   -3.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4231    4.6012   -2.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4677    5.7741   -1.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1705    5.3660   -0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5725    5.4488   -0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1488    2.9655    0.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8127    3.8886    1.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 48  1  0  0  0  0
  1 49  1  0  0  0  0
  1 50  1  0  0  0  0
  2  3  1  0  0  0  0
  2 51  1  0  0  0  0
  2 52  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  2  0  0  0  0
  4  5  2  0  0  0  0
  4 53  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  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 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 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 19  1  0  0  0  0
 15 55  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 56  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 57  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  2  0  0  0  0
 23 24  2  0  0  0  0
 23 64  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  3  0  0  0  0
 27 28  2  0  0  0  0
 27 65  1  0  0  0  0
 28 29  1  0  0  0  0
 28 66  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 31 69  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 32 72  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 73  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 47  1  0  0  0  0
 37 38  1  0  0  0  0
 37 74  1  0  0  0  0
 37 75  1  0  0  0  0
 38 39  1  0  0  0  0
 38 76  1  0  0  0  0
 38 77  1  0  0  0  0
 39 40  1  0  0  0  0
 39 46  1  0  0  0  0
 39 78  1  0  0  0  0
 40 41  1  0  0  0  0
 40 45  1  0  0  0  0
 41 42  1  0  0  0  0
 41 79  1  0  0  0  0
 41 80  1  0  0  0  0
 42 43  1  0  0  0  0
 42 81  1  0  0  0  0
 42 82  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 83  1  0  0  0  0
 44 84  1  0  0  0  0
 45 85  1  0  0  0  0
 45 86  1  0  0  0  0
 46 47  1  0  0  0  0
 46 87  1  0  0  0  0
 46 88  1  0  0  0  0
 47 89  1  0  0  0  0
 47 90  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 642👍, 0💬