Molecule FYI-1009349

A

Molecule Summary:

ID: FYI-1009349
Names:
InChIKey: PQWJVQLSSSSRAU-UHFFFAOYSA-N
SMILES: Cc3noc(CNC2C=CC=C(OC1C=CC=CC1C(N)=O)C2)n3

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009349 Edit

Molecule Structure InChIKey: PQWJVQLSSSSRAU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3noc(CNC2C=CC=C(OC1C=CC=CC1C(N)=O)C2)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009349
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.6703    8.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    8.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780   10.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    9.7922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    7.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  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
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 20 19  1  0  0  0  0
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 22 20  1  0  0  0  0
 23 12  1  0  0  0  0
 23  8  1  0  0  0  0
 24  5  2  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009349-3D
FYIcenter.com

 44 46  0  0  1  0  0  0  0  0999 V2000
   -0.2547   -2.7409    0.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6596   -2.0867   -0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3857   -1.9915   -1.4705 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4827   -1.2909   -1.9753 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3060   -1.0424   -0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5733   -0.3048   -1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6632    0.9505   -0.4385 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9612    1.6358   -0.5848 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1451    2.1718   -1.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2110    3.4792   -2.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0649    4.4828   -1.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0531    4.1755    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    5.2034    0.9765 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4987    5.0933    2.2682 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3936    6.3025    2.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1066    7.3171    3.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    7.3767    3.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315    6.3133    4.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4018    4.9828    3.3703 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8784    4.0267    4.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0149    3.8111    5.5138 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9432    3.4161    4.4613 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1400    2.7358    0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8506   -1.5245    0.2244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1337   -3.1570    0.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2554   -3.5568    1.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6178   -0.1001   -2.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4112   -0.9661   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172    0.7152    0.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7535    0.8962   -0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2527    1.4576   -2.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3469    3.8166   -3.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    5.5155   -1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1663    4.2287    2.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3271    6.3034    1.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7968    8.1463    3.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5685    8.3163    4.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0699    6.3971    4.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4960    4.5435    2.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614    4.4498    5.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845    3.2628    6.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4261    2.5708    1.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1379    2.5836    0.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  2  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1234👍, 0💬