Molecule FYI-1005559

A

Molecule Summary:

ID: FYI-1005559
Names:
InChIKey: JLUHJVZTMGKWGW-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(NC(c1ccccc1)c2ccccc2)c(CCO)cc34

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005559 Edit

Molecule Structure InChIKey: JLUHJVZTMGKWGW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(NC(c1ccccc1)c2ccccc2)c(CCO)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005559
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    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  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  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  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 11  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24  7  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 28  6  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005559-3D
FYIcenter.com

 52 55  0  0  0  0  0  0  0  0999 V2000
   -0.3293   -2.9862    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5562   -1.5037   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7924   -0.9847   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0642    0.4590   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2131    0.8829   -0.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696    1.2967   -0.2206 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3444    0.7854   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3778    1.7294   -0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7183    1.3269   -0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    2.2369   -0.1801 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7255    3.5426   -0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4982    4.5744   -0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8693    4.4291    0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5613    5.3977    0.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8944    6.5228    1.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5362    6.6835    1.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8406    5.7179    0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850    3.4502   -2.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9801    2.2873   -3.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2819    2.2383   -4.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7936    3.3599   -5.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0103    4.5263   -4.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7011    4.5756   -3.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9824   -0.0582   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3911   -0.6248   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0020   -0.8118    1.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660   -1.7458    2.0528 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9162   -0.9880   -0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5836   -0.5799   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2737   -3.5422    0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2285   -3.2611    0.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259   -3.3300   -0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6770   -1.6082    0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0943    2.7745   -0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.4161    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922    3.9018   -0.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4068    3.5597   -0.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6246    5.2746    1.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366    7.2774    1.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0166    7.5653    1.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7799    5.8724    0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5641    1.3925   -2.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    1.3241   -5.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0156    3.3265   -6.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4082    5.4072   -4.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8644    5.5162   -2.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0463    0.0102   -0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3646   -1.5947   -0.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0820    0.1258    1.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0117   -1.2269    1.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5444   -1.2448    2.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1627   -2.0452    0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  2  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 36  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 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  2  0  0  0  0
 25 26  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
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 763👍, 0💬