Molecule FYI-1001244

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A

Molecule Summary:

ID: FYI-1001244
SMILES: Brc1ccc(Cn2cc(COc3ccccc3)nn2)cc1

Received at FYIcenter.com on: 2022-04-11

Molecule ID: FYI-1001244 Edit

Molecule Structure SMILES String: Brc1ccc(Cn2cc(COc3ccccc3)nn2)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001244
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
   13.7167    6.3477    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.3244    6.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5015    7.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1090    7.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5397    5.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1474    5.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    4.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    7.3411    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    3.2709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3626    4.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7549    4.9224    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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  2  0  0  0  0
 19  7  1  0  0  0  0
 20  5  1  0  0  0  0
 21 20  2  0  0  0  0
 21  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001244-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    8.3032    4.5258   -1.7683 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1694    3.1230   -1.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070    2.5191   -2.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4685    1.4818   -1.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4871    1.0459   -0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5745   -0.0591    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1762   -1.3729   -0.0301 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0315   -2.2528   -1.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5728   -3.4273   -0.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6288   -4.7752   -1.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7839   -4.9153   -2.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9198   -6.0976   -2.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0482   -7.1880   -2.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3043   -8.3337   -3.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4328   -8.3979   -4.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3084   -7.3170   -4.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0521   -6.1735   -3.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0395   -3.2124    0.6906 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7844   -1.9535    1.0210 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3678    1.6606    0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2029    2.6993    0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2806    2.8477   -3.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7984    1.0242   -2.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6408   -0.0601   -0.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2977    0.0811    1.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470   -1.9977   -1.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7228   -4.9063   -1.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6414   -5.5345   -0.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1617   -7.1846   -2.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6227   -9.1796   -3.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6299   -9.2898   -4.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1925   -7.3620   -4.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7395   -5.3326   -3.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4089    1.3328    1.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8744    3.1665    0.8391 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 21  2  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 214👍, 0💬