Molecule FYI-1014809

A

Molecule Summary:

ID: FYI-1014809
Names:
InChIKey: QVDSEJDULKLHCG-UHFFFAOYSA-N
SMILES: CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12

Received at FYIcenter.com on: 2025-05-27

Molecule ID: FYI-1014809 Edit

Molecule Structure InChIKey: QVDSEJDULKLHCG-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1014809
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.0656    4.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    4.9224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    6.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408    4.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    2.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125    1.0403    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.3528    1.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2720    0.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014809-3D
FYIcenter.com

 36 37  0     0  0  0  0  0  0999 V2000
   -0.4461   -2.8951   -0.0303 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2142   -1.3055   -0.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4368   -3.2739   -1.2515 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9728   -3.5053   -0.5128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8869   -3.3506    1.3304 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3905    3.1986   -0.1447 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8261    0.5653    0.0799 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2670    1.7647   -0.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020    1.2191   -0.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8956    1.0232   -0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5045    1.0784    0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9209    1.9465    0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0687    3.0990   -0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1748   -0.3491    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2166    1.5646    0.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4664   -0.7457    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4700    0.1980    0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7226   -0.7738   -0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6926    0.5417    1.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647    0.2619   -1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0962    1.8766   -1.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143    0.4388    1.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6087    2.0704    0.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    3.9872   -0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9032    4.0655   -0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9987    2.2986    0.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7409   -1.7868    0.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4669   -0.1315    0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2851   -0.7518   -1.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1445   -1.4596    0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7205   -1.2083   -0.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7006    0.2064    0.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3059   -0.1197    2.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8006    1.5482    1.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7643   -4.1953   -1.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320   -4.4684   -0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2 14  1  0  0  0  0
  3 35  1  0  0  0  0
  4 36  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 25  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
$$$$

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2025-06-21, 169👍, 0💬