Molecule FYI-1001502

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A

Molecule Summary:

ID: FYI-1001502
SMILES: CO[C@@H](C1=CC=C(C=C1)OC(F)(F)F)C2=C(C=NC=C2F)N3N=CC=N3

Received at FYIcenter.com on: 2022-08-17

Molecule ID: FYI-1001502 Edit

Molecule Structure SMILES String: CO[C@@H](C1=CC=C(C=C1)OC(F)(F)F)C2=C(C=NC=C2F)N3N=CC=N3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001502
FYIcenter.com

 26 28  0  0  1  0  0  0  0  0999 V2000
    6.0622    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    9.5710    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.4834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249   11.9958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.8834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  6  0  0  0
  4  3  1  0  0  0  0
  5  4  2  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  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  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 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001502-3D
FYIcenter.com

 38 40  0  0  1  0  0  0  0  0999 V2000
    0.9848   -0.1026    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3715    0.1742   -0.1482 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320   -0.3771   -1.3599 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3425    0.3080   -2.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3144    1.7047   -2.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6546    2.3112   -3.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0091    1.5280   -4.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0165    0.1401   -4.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6874   -0.4661   -3.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2773    1.9730   -5.8451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6133    3.1960   -6.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8039    3.7073   -6.1081 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6580    2.9769   -7.8158 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3520    4.1100   -6.2418 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511   -0.3281   -1.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3483   -1.4095   -1.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7181   -1.1941   -1.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2674   -0.0203   -0.8061 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4058    0.9933   -0.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375    0.8836   -0.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2961    1.9651   -0.5405 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0019   -2.7305   -1.8241 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7407   -3.1267   -2.1564 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8983   -4.4327   -2.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314   -4.7941   -2.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9445   -3.7202   -1.8888 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7060    0.1508    1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7631   -1.1617   -0.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3885    0.5176   -0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004   -1.4126   -1.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623    2.3553   -2.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6391    3.3973   -3.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4796   -0.4814   -5.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6532   -1.5496   -3.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4572   -1.9876   -1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8406    1.9354   -0.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -5.0474   -2.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144   -5.7547   -2.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 30  1  6  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 1910👍, 0💬