Molecule FYI-1001790

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Molecule Summary:

ID: FYI-1001790
SMILES: Fc1c(N2C=NC=C2)ccc(c1)CNC(=O)Nc3cc(c(cc3)C[NH+]4CC[NH+](CC4)C)C(F)(F)F

Received at FYIcenter.com on: 2022-12-08

Molecule ID: FYI-1001790 Edit

Molecule Structure SMILES String: Fc1c(N2C=NC=C2)ccc(c1)CNC(=O)Nc3cc(c(cc3)C[NH+]4CC[NH+](CC4)C)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001790
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
   14.5493    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8282    9.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7651   10.9710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0651   12.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6956   11.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2124    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    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
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    7.1876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    9.6124    0.0000 F   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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  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
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
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 30 25  1  0  0  0  0
 31 28  1  0  0  0  0
 32 20  1  0  0  0  0
 33 32  1  0  0  0  0
 34 32  1  0  0  0  0
 35 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001790-3D
FYIcenter.com

 63 66  0  0  1  0  0  0  0  0999 V2000
   -2.9213   -3.0550   -6.1641 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3535   -2.3466   -5.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4647   -1.2940   -5.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1374   -0.8958   -6.7703 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5997   -1.4293   -7.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1267   -0.8090   -9.0204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3105    0.1574   -8.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910    0.1306   -7.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9113   -0.6274   -4.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2538   -0.9995   -3.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1554   -2.0437   -2.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6918   -2.7169   -3.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4607   -2.5003   -1.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8780   -2.4566   -1.0419 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6125   -3.6076   -0.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1773   -4.7354   -1.0511 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8941   -4.3354   -0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6980   -5.4850    0.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7252   -6.4507    0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9346   -6.3003   -0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0821   -5.1580   -0.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1069   -4.1623   -1.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6262   -8.8133    0.9011 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  2  0  0  0  0
 10 40  1  0  0  0  0
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 31 61  1  0  0  0  0
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 31 63  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
$$$$

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2023-01-06, 1002👍, 0💬