Molecule FYI-1001503

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A

Molecule Summary:

ID: FYI-1001503
SMILES: FC(F)(F)OC1=CC=C(C=C1)[C@H](F)C2=C(C=NC=C2F)N3N=CC=N3

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

Molecule ID: FYI-1001503 Edit

Molecule Structure SMILES String: FC(F)(F)OC1=CC=C(C=C1)[C@H](F)C2=C(C=NC=C2F)N3N=CC=N3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001503
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-1001503-3D
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
    9.8898   -3.8309    6.4687 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6721   -4.4858    5.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9690   -4.2524    5.8826 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4377   -5.8091    5.7417 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4139   -4.1505    4.2333 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9132   -2.9311    3.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7958   -1.8129    4.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2290   -0.6352    4.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8392   -0.5230    2.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9388   -1.6586    2.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -2.8428    2.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2888    0.7957    2.3396 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9359    0.6822    2.1346 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0018    1.3448    1.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2351    2.0482    1.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7046    2.5433   -0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0813    2.3810   -1.3122 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9360    1.6751   -1.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3810    1.1514   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2484    0.4436   -0.2379 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0489    2.2821    2.2383 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2495    2.9240    2.1367 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7466    2.8125    3.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8304    2.1554    4.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7291    1.8712    3.4880 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1297   -1.8010    5.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1169    0.2162    4.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5910   -1.6402    1.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5558   -3.7129    1.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3482    1.5599    3.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6318    3.1138   -0.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4457    1.5338   -2.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7279    3.2033    3.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9019    1.8775    5.2287 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  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12  9  1  0  0  0  0
 12 30  1  1  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 33  1  0  0  0  0
 24 25  2  0  0  0  0
 24 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 458👍, 0💬