Molecule FYI-1010478

A

Molecule Summary:

ID: FYI-1010478
Names:
InChIKey: MPWXRQGYUNSOQF-UHFFFAOYSA-N
SMILES: Cc4cc(N)n3c(C(NC(N)=O)c2nc1ccccc1n2C)cnc3c4C

Received at FYIcenter.com on: 2024-06-06

Molecule ID: FYI-1010478 Edit

Molecule Structure InChIKey: MPWXRQGYUNSOQF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(N)n3c(C(NC(N)=O)c2nc1ccccc1n2C)cnc3c4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010478
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.2940    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8614    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4919    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0593    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900    3.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    3.9945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.3868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.4868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048    8.3098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    9.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374   10.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374   12.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374   12.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374   10.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    9.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    8.3098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1014    7.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    5.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    4.9159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3656    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7982    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1675    2.0808    0.0000 C   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  4  1  0  0  0  0
  6  4  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  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  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
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 21 13  1  0  0  0  0
 22 21  1  0  0  0  0
 23  7  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25  6  1  0  0  0  0
 26 25  1  0  0  0  0
 26  2  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010478-3D
FYIcenter.com

 48 51  0  0  1  0  0  0  0  0999 V2000
    1.1125   -0.0091   -1.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5635   -0.0993   -1.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4348    0.9445   -1.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7622    0.9530   -1.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5738    1.8330   -2.2816 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2682   -0.0125   -0.6784 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4974   -0.1857   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6855    0.7172    0.0742 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5058    0.4894   -1.0926 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8270    0.2152   -0.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4647    0.1804   -2.1776 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4258    0.0056    0.0662 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3778    2.1894    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3559    3.0714   -0.7642 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7820    4.2042   -0.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3973    5.3806   -0.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7347    6.3735   -0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5003    6.2156    1.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9102    5.0621    1.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5280    4.0571    1.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9837    2.7910    1.4055 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    2.1719    2.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3902   -1.4119    0.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1442   -1.9346    0.5028 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4686   -1.0783   -0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0779   -1.1311   -0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2099   -2.3180   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8594    0.9626   -2.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4602   -0.1369   -0.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8706   -0.7789   -2.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0006    1.6679   -2.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1030    2.7139   -2.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4492    2.0717   -1.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2598    0.4230    0.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9445    0.0279   -3.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4212   -0.1484   -2.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5809    5.4945   -1.9707 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3937    7.2736   -0.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9806    7.0002    1.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5473    2.8509    3.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0106    1.9461    2.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3781    1.2601    2.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1577   -1.9159    1.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7773   -3.0765    0.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -2.7995   -1.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3624   -2.0230    0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  2  0  0  0  0
  3  4  2  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 42  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
 23 45  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$

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