Molecule FYI-1001120

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Molecule Summary:

ID: FYI-1001120
SMILES: Cl.CN(C)CCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O

Received at FYIcenter.com on: 2022-01-18

Molecule ID: FYI-1001120 Edit

Molecule Structure SMILES String: Cl.CN(C)CCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001120
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
    8.4560    5.8709    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8090   12.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4303   11.8403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5303   12.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9514   10.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5727   10.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0938    8.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7151    8.7229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363    7.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8575    7.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    5.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786    4.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7998    3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    3.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    2.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4995    0.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9783    1.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0785    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5573    3.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9360    4.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6574    5.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    6.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5149    6.5779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  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 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  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
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 24 13  1  0  0  0  0
 25 24  2  0  0  0  0
 25  9  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001120-3D
FYIcenter.com

 47 48  0  0  0  0  0  0  0  0999 V2000
   -0.7622    1.4274   -1.4161 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3123    2.6583    2.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3950    2.0327    1.2876 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5002    1.6634    2.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300    0.8331    0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8780    1.1585   -0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3753    2.1854   -1.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    1.6668   -2.3215 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1556    2.4010   -3.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621    3.7034   -3.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3940    4.4129   -4.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9784    5.6691   -4.9781 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4470    3.8209   -5.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1088    4.5745   -6.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7545    5.7126   -6.8200 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1872    3.9512   -7.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7882    4.6470   -8.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7997    4.0496   -9.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250    2.7574   -8.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6398    2.0592   -7.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6158    2.6488   -7.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9914    1.8994   -5.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4021    0.7744   -5.7013 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8739    2.4988   -5.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2152    1.7960   -4.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5498    0.5401   -3.6739 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5330    1.7971   -1.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7050    3.5153    2.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8385    1.9275    2.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5443    3.0884    1.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8464    2.5476    2.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3697    1.3016    1.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1894    0.8673    2.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5026    0.0844    1.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8016    0.3485    0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542    1.5441   -0.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5954    0.2208   -1.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6704    3.1197   -1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5415    2.4154   -2.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8073    0.7054   -2.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9538    4.1839   -3.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2629    6.1027   -4.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4729    5.6512   -8.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2538    4.5897   -9.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0082    2.2934   -9.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9864    1.0557   -7.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2569   -0.0214   -3.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  2  0  0  0  0
 10 11  2  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  2  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 1582👍, 0💬