Molecule FYI-1001493

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A

Molecule Summary:

ID: FYI-1001493
SMILES: O=CN\\N=C(C1=C(F)C=CC=C1)\\[C@@H](C)N2N=C(C=C2)C(F)(F)F

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

Molecule ID: FYI-1001493 Edit

Molecule Structure SMILES String: O=CNN=C(C1=C(F)C=CC=C1)[C@@H](C)N2N=C(C=C2)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001493
FYIcenter.com

 25 26  0  0  1  0  0  0  0  0999 V2000
   12.2751    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8501    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8501    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0004    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7215    6.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    5.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    3.9166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    4.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    5.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    3.8830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4216    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386    6.6676    0.0000 F   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  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
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 15 17  1  6  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001493-3D
FYIcenter.com

 35 36  0  0  1  0  0  0  0  0999 V2000
    1.1520   -0.2595    0.1108 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3701   -0.2558    0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0555    0.5345    1.0986 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3921    0.3935    1.2546 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9659    0.6563    2.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2397    0.9290    3.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7347    1.8145    4.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8748    2.4816    4.4704 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0505    2.0600    5.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8324    1.4352    6.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3263    0.5326    5.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0404    0.2566    3.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5073    0.5522    2.4377 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0448   -0.4635    1.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1894    1.8333    2.2277 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2216    2.1517    3.0379 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6776    3.3287    2.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9669    3.7060    1.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0255    2.7235    1.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8109    4.0853    3.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2019    3.5730    4.4127 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9148    4.1152    2.4207 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4749    5.3870    3.4459 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0247   -0.9274   -0.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5123    1.1550    1.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    2.7492    6.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2856    1.6457    7.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763    0.0355    5.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6355   -0.4977    3.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7939    0.2080    3.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7878   -0.1854    0.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6343   -1.4598    1.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1382   -0.5248    1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395    4.5765    0.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2819    2.5786    0.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  3  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  1  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 459👍, 0💬