Molecule FYI-1001319

Home > Molecule

A

Molecule Summary:

ID: FYI-1001319
SMILES: CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N.Cl.Cl

Received at FYIcenter.com on: 2022-05-15

Molecule ID: FYI-1001319 Edit

Molecule Structure SMILES String: CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N.Cl.Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001319
FYIcenter.com

 38 35  0  0  0  0  0  0  0  0999 V2000
   10.7816   31.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0248   29.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9522   28.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1954   27.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1229   26.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8074   26.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7349   26.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3660   25.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2935   24.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367   22.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8523   22.3077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4643   21.8866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7073   20.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6349   19.6079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8779   18.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8055   17.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0486   15.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9762   15.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2192   13.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1468   12.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3899   11.3932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3175   10.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0019   10.9723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5605    9.1146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4881    8.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7311    6.8359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587    5.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9018    4.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2174    4.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2899    4.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    3.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    2.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725    8.6936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0229   20.0290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   11.8631    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.3980   15.4023    0.0000 Cl  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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  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  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
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  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  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 28  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 25  1  0  0  0  0
 36 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001319-3D
FYIcenter.com

 96 93  0  0  1  0  0  0  0  0999 V2000
   21.5035   -2.2804   -1.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6803   -0.8532   -1.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5001   -0.7365   -3.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1130   -1.1867   -3.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9051   -0.9988   -5.1186 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.9985   -1.6642   -6.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0084   -3.2014   -5.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5471   -1.5809   -5.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4179   -0.9598   -4.9002 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1961   -1.3067   -5.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9467   -2.3349   -6.1327 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1510   -0.5797   -4.5371 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7188   -0.7952   -4.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9763    0.0253   -3.7796 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5217    1.1465   -3.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5137    1.9413   -2.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7156    1.1014   -1.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5652    0.2364   -0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6953   -0.7087    0.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9964   -1.7169   -0.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0134   -2.5362    0.3551 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7381   -2.5232    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1435   -1.5836   -0.7890 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9141   -3.3938    0.8516 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6068   -3.8480    0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7775   -4.2481    1.3505 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1208   -4.1762    2.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0359   -4.5578    3.7599 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6390   -4.3769    5.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9270   -5.1779    5.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7522   -3.6818    3.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9502   -3.7943    2.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4651   -5.2239    2.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7307   -5.2953    0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2451   -3.9277   -0.9200 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0780   -1.9053   -5.1058 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4865    1.7747   -1.9808 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3363    1.1271    1.0278 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   21.7565   -2.3123    0.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1722   -2.9813   -1.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4511   -2.6145   -1.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7149   -0.5233   -1.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9711   -0.1796   -1.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2864   -1.3588   -3.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6672    0.3250   -3.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3398   -0.5903   -3.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9655   -2.2551   -3.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9329    0.0940   -5.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9982   -1.2806   -5.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8310   -1.3599   -7.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1213   -3.5787   -4.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8417   -3.5829   -6.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0778   -3.6168   -6.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5256   -2.6515   -5.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4395   -1.4457   -6.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6713   -3.0060   -6.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1111   -2.3196   -6.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5364    0.1971   -3.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0070    1.8502   -3.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2884    0.7676   -2.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7884    2.4457   -2.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0699    2.7205   -1.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0803    0.5113   -1.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0466    1.7658   -0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1580    0.9082    0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2730   -0.4111   -0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9668   -0.1053    1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3367   -1.2659    1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7446   -2.3643   -0.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5102   -1.1814   -1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5964   -1.1845   -1.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3107   -1.0721   -0.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3399   -3.7601    1.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4351   -3.1312    2.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9606   -4.8833    2.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7727   -5.6277    3.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844   -4.6968    5.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8697   -3.3020    5.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604   -6.2561    5.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2488   -5.0463    6.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7751   -4.8134    4.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0277   -2.6129    3.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669   -3.9654    4.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5459   -3.4164    1.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0634   -3.1271    2.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7882   -5.5543    2.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3219   -5.9247    1.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8538   -4.6149    0.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3835   -6.3349    0.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4199   -5.0080   -0.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9225   -3.7128   -1.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3381   -4.3400   -1.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5687   -2.7060   -5.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0495   -1.9983   -5.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9518    2.0677   -0.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0580    1.4205    1.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2 42  1  0  0  0  0
  2 43  1  0  0  0  0
  3  4  1  0  0  0  0
  3 44  1  0  0  0  0
  3 45  1  0  0  0  0
  4  5  1  0  0  0  0
  4 46  1  0  0  0  0
  4 47  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 48  1  0  0  0  0
  6  7  1  0  0  0  0
  6 49  1  0  0  0  0
  6 50  1  0  0  0  0
  7 51  1  0  0  0  0
  7 52  1  0  0  0  0
  7 53  1  0  0  0  0
  8  9  1  0  0  0  0
  8 54  1  0  0  0  0
  8 55  1  0  0  0  0
  9 10  2  3  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 56  1  0  0  0  0
 11 57  1  0  0  0  0
 12 13  1  0  0  0  0
 12 58  1  0  0  0  0
 13 14  2  3  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 59  1  0  0  0  0
 15 60  1  0  0  0  0
 16 17  1  0  0  0  0
 16 61  1  0  0  0  0
 16 62  1  0  0  0  0
 17 18  1  0  0  0  0
 17 63  1  0  0  0  0
 17 64  1  0  0  0  0
 18 19  1  0  0  0  0
 18 65  1  0  0  0  0
 18 66  1  0  0  0  0
 19 20  1  0  0  0  0
 19 67  1  0  0  0  0
 19 68  1  0  0  0  0
 20 21  1  0  0  0  0
 20 69  1  0  0  0  0
 20 70  1  0  0  0  0
 21 22  2  3  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 71  1  0  0  0  0
 23 72  1  0  0  0  0
 24 25  1  0  0  0  0
 24 73  1  0  0  0  0
 25 26  2  3  0  0  0
 25 35  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 74  1  0  0  0  0
 27 75  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 28 76  1  0  0  0  0
 29 30  1  0  0  0  0
 29 77  1  0  0  0  0
 29 78  1  0  0  0  0
 30 79  1  0  0  0  0
 30 80  1  0  0  0  0
 30 81  1  0  0  0  0
 31 32  1  0  0  0  0
 31 82  1  0  0  0  0
 31 83  1  0  0  0  0
 32 33  1  0  0  0  0
 32 84  1  0  0  0  0
 32 85  1  0  0  0  0
 33 34  1  0  0  0  0
 33 86  1  0  0  0  0
 33 87  1  0  0  0  0
 34 88  1  0  0  0  0
 34 89  1  0  0  0  0
 34 90  1  0  0  0  0
 35 91  1  0  0  0  0
 35 92  1  0  0  0  0
 36 93  1  0  0  0  0
 36 94  1  0  0  0  0
 37 95  1  0  0  0  0
 38 96  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-01, 1867👍, 0💬