Molecule FYI-1000380

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Molecule Summary:

ID: FYI-1000380
SMILES: Cc1n[nH]c(C)c1c2cn(C)c3c(C(=O)O)cccc23.Cl

Received at FYIcenter.com on: 2021-04-22

Molecule ID: FYI-1000380 Edit

Molecule Structure SMILES String: Cc1n[nH]c(C)c1c2cn(C)c3c(C(=O)O)cccc23.Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1000380
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.2544    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4668    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6132    0.2912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9826    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0749    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7458    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    5.5840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2098    6.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    8.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    9.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7298    4.5233    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  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 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20  8  1  0  0  0  0
 20 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000380-3D
FYIcenter.com

 37 38  0  0  0  0  0  0  0  0999 V2000
   -2.4183   -0.6021   -1.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9916   -0.2833   -0.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5661    0.9935   -0.7463 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6756    0.9955   -0.2953 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0732   -0.2654   -0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4274   -0.6072    0.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0446   -1.1336   -0.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0702   -2.6164   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6400   -3.3420    0.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4665   -4.6701    0.5715 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9679   -5.6406    1.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2100   -4.8317   -0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511   -6.0047   -1.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4600   -7.4435   -0.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0308   -7.7225    0.1633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8013   -8.4885   -1.7025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3243   -5.7643   -2.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5031   -4.4764   -3.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411   -3.3742   -2.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4395   -3.5654   -1.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4687    0.5691    3.1880 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9784    0.3447   -1.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -1.1677   -0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5554   -1.1509   -2.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2361    1.8625   -0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0279    0.3163    0.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623   -1.2838   -0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3342   -1.0890    1.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333   -2.9191    1.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769   -5.1265    2.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7231   -6.3024    1.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1243   -6.2095    1.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1469   -8.4367   -2.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7184   -6.5518   -3.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9946   -4.3351   -4.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310   -2.4037   -2.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4492    1.2321    2.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 20  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 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-06-20, 3524👍, 0💬