Molecule FYI-1007059

A

Molecule Summary:

ID: FYI-1007059
Names:
InChIKey: QZDGKEUANIFHRF-UHFFFAOYSA-N
SMILES: O=C(Nc2ccc(c1ccncc1)nc2)c3ccc(O)cc3

Received at FYIcenter.com on: 2024-01-28

Molecule ID: FYI-1007059 Edit

Molecule Structure InChIKey: QZDGKEUANIFHRF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2ccc(c1ccncc1)nc2)c3ccc(O)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007059
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
   13.3369    6.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.7999    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
    6.0622    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.8999    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    3.6375    4.1999    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  2  0  0  0  0
 15  2  1  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 11 22  2  0  0  0  0
 22 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007059-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.0969    0.8251   -0.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2186    0.3257   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640   -0.5306   -1.1178 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1128   -0.9100   -2.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0275   -0.2167   -2.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3804   -0.6791   -3.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8407   -1.8289   -4.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1575   -2.3884   -5.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5176   -1.5710   -6.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1865   -2.1508   -7.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2301   -3.4779   -8.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5667   -4.2570   -7.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -3.7688   -6.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9242   -2.5029   -4.1503 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5350   -2.0272   -3.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0431    0.6171    1.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724    0.7856    2.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0753    1.1587    3.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4464    1.3705    3.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1686    1.7665    4.3809 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1240    1.2027    2.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4235    0.8239    0.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5990   -1.0430   -0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    0.6917   -2.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4941   -0.1434   -4.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5265   -0.4904   -6.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7212   -1.5388   -8.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6140   -5.3233   -7.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6304   -4.4588   -5.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3863   -2.6189   -2.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2943    0.6441    2.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362    1.2952    4.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5599    1.8985    5.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1926    1.3949    2.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9537    0.7484   -0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  2  0  0  0  0
  5 24  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 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END
$$$$

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2024-02-11, 1555👍, 0💬