Molecule FYI-1001273

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A

Molecule Summary:

ID: FYI-1001273
SMILES: FC=1C=C2C(=CNC2=C(C1F)F)C1=NC=2C=CC=C(C2C=C1)C(=O)N

Received at FYIcenter.com on: 2022-04-22

Molecule ID: FYI-1001273 Edit

Molecule Structure SMILES String: FC=1C=C2C(=CNC2=C(C1F)F)C1=NC=2C=CC=C(C2C=C1)C(=O)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001273
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.2331    3.2451    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8636    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9269    3.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    3.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    3.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4310    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3679    0.5821    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6291    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.1262    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  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  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
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 13  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001273-3D
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
    5.7251    0.0642    4.0910 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9161    0.1192    2.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6665    1.3168    2.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8725    1.4124    0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7391    2.4787   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0562    1.9194   -1.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3983    0.5942   -1.3023 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3019    0.2672    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5508   -0.9400    0.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3605   -0.9956    2.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6103   -2.1317    2.7450 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9714   -2.0215    0.0296 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2644    3.8490   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6791    3.9219    1.1876 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1480    5.0506    1.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403    4.9052    2.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8413    5.9324    3.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7952    7.1578    2.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4627    7.3602    1.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1553    6.2690    0.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8209    6.1950   -0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660    4.9717   -0.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3303    8.7641    1.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2848    9.3855    1.2591 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4541    9.4170    0.6847 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3163    2.1659    2.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0528    2.3151   -2.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6629   -0.0613   -2.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5955    3.9357    3.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3350    5.7698    4.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2203    7.9593    3.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8918    7.0803   -0.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8465    4.9318   -1.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3739    9.0373    0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3632   10.4253    0.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  2  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 34  1  0  0  0  0
 25 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 624👍, 0💬