Molecule FYI-1009008

A

Molecule Summary:

ID: FYI-1009008
Names:
InChIKey: AUFNWHLGERWYHJ-UHFFFAOYSA-N
SMILES: Clc3ccc(Nc2cc(Nc1cccc(Cl)n1)ncn2)cc3

Received at FYIcenter.com on: 2024-04-29

Molecule ID: FYI-1009008 Edit

Molecule Structure InChIKey: AUFNWHLGERWYHJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc3ccc(Nc2cc(Nc1cccc(Cl)n1)ncn2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009008
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
   14.5492    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   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
    7.2747    2.8000    0.0000 C   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
    4.8497    2.8000    0.0000 N   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
    2.4249    2.8000    0.0000 C   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
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    6.0621    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    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
  7  2  1  0  0  0  0
  8  4  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  1  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
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19 13  1  0  0  0  0
 20 11  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009008-3D
FYIcenter.com

 33 35  0     0  0  0  0  0  0999 V2000
    7.8136   -0.7428    0.8191 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.8146   -2.5339   -0.0058 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2977    0.9228   -0.5444 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4370    1.0980    0.0286 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0270   -1.0810   -0.6343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3639   -0.9944   -0.3454 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1219   -0.5702    0.0279 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6114    0.5264   -0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0570    0.2588   -0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2605    0.3428   -0.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0653    1.0302   -0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714    1.4163   -0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8506   -0.7558    0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7889    0.7349    0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9706    1.0243   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1498   -1.1478    0.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2099   -0.2578    0.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7026    1.7515    0.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1982   -1.6346   -0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0444    1.4062    0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4262    0.0738    0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4353   -0.8675    0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319    1.8756   -0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0093    2.1058   -0.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2752    2.1011    0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4994    2.4184   -0.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650   -1.4790    0.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871    1.7282   -0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3215   -2.1480    0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4009    2.7901    0.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2518   -2.7096   -0.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7913    2.1738    0.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4706   -0.2054    0.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  2  0  0  0  0
  6 10  2  0  0  0  0
  6 19  1  0  0  0  0
  7 14  2  0  0  0  0
  7 22  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1265👍, 0💬