Molecule FYI-1007881

A

Molecule Summary:

ID: FYI-1007881
Names:
InChIKey: KQFDRJNEGMQUOA-UHFFFAOYSA-N
SMILES: Fc1ccccc1Nc4nccc(Nc3ccc(CN2CCOCC2)cc3)n4

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007881 Edit

Molecule Structure InChIKey: KQFDRJNEGMQUOA-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc1ccccc1Nc4nccc(Nc3ccc(CN2CCOCC2)cc3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007881
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    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
    1.2125    7.0000    0.0000 N   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
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  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  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  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
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007881-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    4.4823   -7.5441    1.9180 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512   -8.3120    2.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7485   -9.6930    2.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1880  -10.5268    3.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7548   -9.9747    4.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530   -8.5872    5.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3555   -7.7345    4.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4810   -6.3446    4.3163 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -5.3887    3.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793   -5.6666    3.7153 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951   -4.7013    3.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -3.4608    2.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3192   -3.2468    3.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456   -1.9704    2.6643 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2123   -1.5951    2.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7532   -0.7655    1.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1283   -0.4938    1.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9943   -1.0204    2.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4955   -0.9574    2.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2579    0.1653    3.0179 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2446    0.3580    4.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1652    1.3285    4.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    2.5763    4.2670 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0527    2.3716    2.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1428    1.4407    2.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4337   -1.7454    3.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0588   -2.0122    3.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1236   -4.2090    3.4920 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3276  -10.1031    1.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0969  -11.6050    3.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1130  -10.6223    5.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2876   -8.1675    6.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4058   -6.0007    4.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4481   -4.9674    3.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931   -2.7069    2.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4326   -1.6694    1.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1217   -0.3717    0.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5241    0.0852    0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7051   -1.0484    1.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9208   -1.8815    2.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2203    0.7903    4.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1922   -0.5964    5.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3549    1.5558    6.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1620    0.8972    4.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1462    3.3520    2.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0471    1.9995    2.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1061    1.9536    2.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0281    1.2960    1.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0668   -2.1666    4.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6645   -2.6009    4.5913 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  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  2  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  2  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
$$$$

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2024-04-14, 143👍, 0💬