Molecule FYI-1000199

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Molecule Summary:

ID: FYI-1000199
SMILES: N[C@H]1CCN(Cc2ccn3ncncc23)C[C@H]1O

Received at FYIcenter.com on: 2020-12-07

Molecule ID: FYI-1000199 Edit

Molecule Structure SMILES String: N[C@H]1CCN(Cc2ccn3ncncc23)C[C@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000199
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
    8.9030   -0.8150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9245   -0.6088    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3385   -0.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138    0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    0.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.1964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -1.3531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8425   -1.8146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673   -2.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3170   -0.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0956   -1.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2276    0.4291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6344    0.9614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8665    1.1232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1089    0.8756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -0.0775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -0.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819    1.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    3.1592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.5751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6643   -1.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2575   -1.7666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1532   -2.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  8 16  2  0  0  0  0
 11 16  1  0  0  0  0
  6 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 18  1  0  0  0  0
 18 20  1  6  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 13 31  1  0  0  0  0
 15 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000199-3D
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
    2.8699    0.2409    1.6080 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4486   -0.1267    0.2493 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8236    0.9824   -0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356    0.5841   -2.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0670   -0.6592   -2.6240 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249   -0.5727   -2.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    0.4950   -3.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7912    1.5965   -3.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9996    2.2892   -4.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3135    1.6532   -5.6543 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3479    1.9576   -6.9648 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6003    1.1907   -7.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7774    0.1717   -7.2746 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7754   -0.1134   -6.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6097    0.6163   -5.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7226   -1.7671   -1.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0043   -1.5060   -0.1949 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4084   -1.6433    0.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425    1.2146    1.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8753    0.1424    1.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3543   -0.2014    0.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8940    1.2154   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2930    1.9072   -0.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392    1.4085   -2.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465    0.4537   -2.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982   -1.5292   -3.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0557   -0.3890   -1.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2347    1.8387   -2.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6012    3.1586   -4.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6127    1.3622   -8.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1228   -0.9123   -5.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2380   -2.6840   -2.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.9694   -1.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5142   -2.2901    0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7843   -0.7550    0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2  1  1  0  0  0  0
  2 21  1  1  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  1  0  0  0
 18 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-02-04, 2874👍, 0💬