Molecule FYI-1007497

A

Molecule Summary:

ID: FYI-1007497
Names:
InChIKey: IFYKIMFJQAKYNV-LXHRPGSHSA-N
SMILES: CCOc3ccc(/C=C/C(=O)Oc2ccc(/N=N/c1ccc(CC)cc1)cc2)cc3OC

Received at FYIcenter.com on: 2024-02-26

Molecule ID: FYI-1007497 Edit

Molecule Structure InChIKey: IFYKIMFJQAKYNV-LXHRPGSHSA-N

Molecule Structure SMILES String: CCOc3ccc(/C=C/C(=O)Oc2ccc(/N=N/c1ccc(CC)cc1)cc2)cc3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007497
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
   18.1864    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1864    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    9.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3988    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6112    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28  3  1  0  0  0  0
 29 28  1  0  0  0  0
 30  2  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007497-3D
FYIcenter.com

 58 60  0  0  0  0  0  0  0  0999 V2000
    1.2873    5.6087   -0.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7338    5.4642   -0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    4.5817   -1.3705 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6994    4.2549   -1.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4214    4.8409   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7248    4.4311    0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3448    3.4318   -0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6920    2.9993   -0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6119    2.4987   -0.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9507    2.1770   -0.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2440    2.2598    0.7684 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7740    1.8479   -1.4828 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1840    1.7932   -1.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8854    1.7442   -0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2796    1.8346   -0.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9988    1.9391   -1.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4005    2.1232   -1.4470 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9754    1.6899   -0.4258 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3478    2.0074   -0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8915    3.2002   -0.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2563    3.4809   -0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1092    2.5744   -0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5855    2.8580    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9526    3.6009    1.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5663    1.3964    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2020    1.1206    0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2752    1.9300   -2.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8757    1.8532   -2.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6285    2.8465   -1.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3255    3.2625   -1.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780    2.5520   -2.8951 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8882    3.2606   -3.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521    6.2880   -0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7829    4.6373   -0.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263    5.9986   -1.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551    5.0576    0.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2076    6.4523   -0.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9976    5.6168    0.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2463    4.9031    1.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9403    3.1375    0.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4524    2.3655   -2.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3922    1.6616    0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8020    1.8497    0.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2492    3.9247   -1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6470    4.4135   -1.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9140    3.4401   -0.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1410    1.9132   -0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4401    4.5664    1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0314    3.7892    1.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6916    3.0197    2.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2006    0.6823    0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7964    0.2001    0.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8071    2.0080   -3.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3331    1.8692   -3.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0651    2.0431   -2.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2424    4.2736   -3.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8771    3.2664   -3.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  2  0  0  0  0
  5  6  2  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  2  0  0  0  0
  8  9  2  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  2  0  0  0  0
 14 15  2  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  2  0  0  0  0
 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  2  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 28  1  0  0  0  0
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 28 54  1  0  0  0  0
 29 30  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
M  END
$$$$

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2024-03-07, 1501👍, 0💬