Molecule FYI-1007759

A

Molecule Summary:

ID: FYI-1007759
Names:
InChIKey: ZVTGRLKVESHEOB-UHFFFAOYSA-N
SMILES: Cc3ccnc(NC(=O)Cc2ccc1CC(=O)Nc1c2)n3

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007759 Edit

Molecule Structure InChIKey: ZVTGRLKVESHEOB-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccnc(NC(=O)Cc2ccc1CC(=O)Nc1c2)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007759
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0621    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    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
    9.6993    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1957    2.6585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4624    1.2962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  1  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  1  0  0  0  0
 13 18  1  0  0  0  0
 19 20  1  0  0  0  0
 17 20  1  0  0  0  0
  7 19  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007759-3D
FYIcenter.com

 35 37  0     0  0  0  0  0  0999 V2000
    5.8915   -2.3355   -0.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2719    1.7315   -0.5721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8513   -1.6139    0.3090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9900    0.2492    1.1016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    0.2166   -0.6222 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8630   -1.1473    1.3453 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8131    0.5371   -0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1279   -0.4266    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0852   -0.0470   -0.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3838    1.1085    0.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9157   -0.1742    0.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2943    1.8084   -0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0380   -1.4827   -0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0669    2.0913    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0755    1.4436    1.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1325    1.1749    0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2072   -0.2521    0.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7504   -0.2826   -1.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5166   -1.2044   -0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0186   -1.6047    0.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2068    0.2099   -2.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0956   -0.0641   -2.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9601    0.4664   -0.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.9422    1.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8176    2.5677   -1.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5476   -2.4568    0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6432    3.0870   -0.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0101    0.9156    2.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0456    2.5090    1.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7446   -0.1349    2.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4486   -1.5944   -0.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5513   -2.3263    1.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4982    0.9340   -2.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2910   -0.6228   -3.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1799    0.7033   -2.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 16  2  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 26  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 30  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  2  0  0  0  0
  6 17  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  2  0  0  0  0
 12 25  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$

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2024-03-23, 148👍, 0💬