Molecule FYI-1001535

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A

Molecule Summary:

ID: FYI-1001535
SMILES: CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)O

Received at FYIcenter.com on: 2022-08-30

Molecule ID: FYI-1001535 Edit

Molecule Structure SMILES String: CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001535
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    7.2454    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9454    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5454    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    1.8165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    2.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5200    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5200    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076   11.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    1.4000    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  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 20 15  2  0  0  0  0
 21  6  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 31 25  1  0  0  0  0
 32  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001535-3D
FYIcenter.com

 53 55  0  0  0  0  0  0  0  0999 V2000
    1.0260   -0.1896   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4766   -0.0639   -0.0297 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1753   -1.2621   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6703   -2.3842   -0.0258 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6554   -1.1940   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2007    0.0287    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4593    1.1921    0.0214 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    1.1410   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081    2.5484   -0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4882    3.6644   -0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6974    2.6554   -1.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4884    2.7597    1.0440 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6784    3.8961    1.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5826    4.7150    0.2506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0275    4.0529    2.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7815    5.1795    2.6505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2702    4.9436    3.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435    5.9738    4.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8648    3.7909    4.3998 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0485    3.2125    3.4387 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7152    0.1765   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5074   -0.7582   -0.0308 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1183    1.4929   -0.0344 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5098    1.8866   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8780    2.7416   -1.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3967    4.0359   -1.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7746    4.8034   -2.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6374    4.2793   -3.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0038    5.0158   -4.4625 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1332    3.0004   -3.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7574    2.2308   -2.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3398   -2.3908   -0.0564 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966   -1.2349   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229    0.2589   -0.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6061    0.2937    0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850    3.5673   -0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0712    3.6230    0.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560    4.6681   -0.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980    2.2012   -2.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220    3.6971   -1.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133    2.1822   -1.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6721    2.2641    1.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0670    6.9246    3.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8682    6.1572    5.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1904    5.6531    4.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3937    2.2012   -0.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1694    1.0123    0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6577    2.4411    0.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5225    4.4507   -0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818    5.8013   -1.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0438    2.6067   -4.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3790    1.2217   -2.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6547   -3.0906   -0.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 31  2  0  0  0  0
 26 27  2  0  0  0  0
 26 49  1  0  0  0  0
 27 28  1  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END
$$$$

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2022-10-01, 301👍, 0💬