Molecule FYI-1007792

A

Molecule Summary:

ID: FYI-1007792
Names:
InChIKey: VQMVDVTZXPYYQC-UHFFFAOYSA-N
SMILES: Fc4ccc(Nc3nccc(Nc1ccccc1N2CCOCC2)n3)cc4

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007792 Edit

Molecule Structure InChIKey: VQMVDVTZXPYYQC-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4ccc(Nc3nccc(Nc1ccccc1N2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007792
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   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
    1.2124    2.8000    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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  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
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007792-3D
FYIcenter.com

 47 50  0     0  0  0  0  0  0999 V2000
    5.0379    3.3661   -1.0621 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3598   -0.0415   -2.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4474    0.6411   -0.2814 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3933   -1.0573    0.6997 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9114   -1.3958    0.2470 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1835   -1.7782   -0.1958 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8163   -3.6292    0.2633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1373    0.7827   -1.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8761    0.6466    0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9725   -0.2039   -2.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6191   -0.3321   -0.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5133    1.1130    0.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5026    0.2833    1.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6031    2.4336    1.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5816    0.7741    2.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6821    2.9244    2.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6713    2.0947    2.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2938   -1.9218    0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5195   -3.2723    0.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9074   -2.2933    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833   -4.0868    0.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6549   -0.4706   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9743   -0.1430   -0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8028    0.4979   -0.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4416    1.1530   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2700    1.7938   -1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5893    2.1215   -0.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3683    1.8090   -2.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0740    0.5994   -1.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0335    0.3642    1.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2750    1.6575   -0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8317   -0.0234   -3.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6752   -1.2396   -2.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3313   -1.3687   -0.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6978   -0.2469   -0.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3801    3.0969    0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076    0.1456    2.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474   -1.4163    0.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7512    3.9529    2.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0444    2.4764    3.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4923   -3.6814    0.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5038   -5.1624    0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9112   -2.4847   -0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6482   -0.8882    0.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7831    0.2777   -1.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4686    1.4087   -0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6098    2.5460   -1.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 18  1  0  0  0  0
  4 38  1  0  0  0  0
  5 18  2  0  0  0  0
  5 20  1  0  0  0  0
  6 20  1  0  0  0  0
  6 22  1  0  0  0  0
  6 43  1  0  0  0  0
  7 20  2  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  2  0  0  0  0
 19 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 27  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 145👍, 0💬