Molecule FYI-1006275

A

Molecule Summary:

ID: FYI-1006275
Names:
InChIKey: UCEQXRCJXIVODC-PMACEKPBSA-N
SMILES: O=C4NC(=O)C(c1cn3CCCc2cccc1c23)C4c5c[nH]c6ccccc56

Received at FYIcenter.com on: 2023-12-07

Molecule ID: FYI-1006275 Edit

Molecule Structure InChIKey: UCEQXRCJXIVODC-PMACEKPBSA-N

Molecule Structure SMILES String: O=C4NC(=O)C(c1cn3CCCc2cccc1c23)C4c5c[nH]c6ccccc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1006275
FYIcenter.com

 47 52  0  0  1  0  0  0  0  0999 V2000
    8.5883    5.7566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7311   11.0860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8647    4.2562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0819    8.5683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3734    8.9173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0158    6.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4882    8.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1010    5.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2979    3.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6865    4.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5079    5.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119    3.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2979    1.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9531    8.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119    1.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8647    0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6187    7.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7650    9.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750    3.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300   10.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6865    0.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6846    8.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750    1.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8270   10.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   11.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9937   11.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3663   13.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635   13.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655    7.1840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5451    7.5295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734    6.5521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0768    4.3682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    3.2623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    1.9325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0768    0.8265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2336    0.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5134    0.1852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0204    8.8955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9358    3.8961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6865    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7074    7.0177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9358    1.2987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4358    8.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1935   11.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.7923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8435   14.1304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2469   14.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 18  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 38  1  0  0  0  0
  5 22  1  0  0  0  0
  5 24  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 29  1  6  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  7 30  1  1  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 19  2  0  0  0  0
 11 31  1  0  0  0  0
 12 15  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 16  1  0  0  0  0
 13 21  1  0  0  0  0
 14 20  1  0  0  0  0
 14 22  2  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 19 23  1  0  0  0  0
 19 39  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 44  1  0  0  0  0
 26 28  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006275-3D
FYIcenter.com

 47 52  0     1  0  0  0  0  0999 V2000
    0.5904    3.6910   -1.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8916    3.0015    1.4376 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0518    0.7965    0.5242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2029    3.6526   -0.0149 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2739   -0.4257   -0.7755 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3055    1.5905   -0.6404 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3545    1.3758    0.4754 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0143    1.0209   -0.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7703   -0.3687   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4998   -0.2667   -0.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976    1.6531    0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3400    0.9772    1.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6117   -1.4749   -0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4128    0.4198    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9798   -0.3813    1.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9729   -1.4043    0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2152    3.0934   -0.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9400    2.7503    0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0127   -1.3620   -1.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4424   -0.9731    0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1182   -2.5453   -1.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5515    0.7268   -0.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377   -2.4910   -1.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6206   -1.4799   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5779   -1.8547    1.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9789   -2.8295   -0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9235   -3.2073    1.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1060   -3.6850    0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6534    1.2010   -1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866    1.0686    1.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0294    2.6268    0.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1869    1.5856    2.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9729    1.5267    0.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189   -0.8112    2.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0063   -0.2257    1.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2669   -2.3879    0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7002   -1.1030   -0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3746    4.6515    0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0253   -1.3451   -1.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7276   -3.4335   -1.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9175    1.6555   -1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4720   -3.3394   -2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1581   -0.4939   -1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6539   -1.4997    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8992   -3.2024   -0.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2606   -3.8915    1.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3547   -4.7394    0.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 18  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 38  1  0  0  0  0
  5 22  1  0  0  0  0
  5 24  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 29  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 19  2  0  0  0  0
 11 31  1  0  0  0  0
 12 15  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 16  1  0  0  0  0
 13 21  1  0  0  0  0
 14 20  1  0  0  0  0
 14 22  2  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 19 23  1  0  0  0  0
 19 39  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 44  1  0  0  0  0
 26 28  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-14, 373👍, 0💬