Molecule FYI-1004800

A

Molecule Summary:

ID: FYI-1004800
Names:
InChIKey: QYSQXVAEFPWMEM-UHFFFAOYSA-N
SMILES: O=C(CC(CO)N2CCN(c1ccc(OC(F)(F)F)cc1)CC2)Nc3ccc(Cl)cc3

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004800 Edit

Molecule Structure InChIKey: QYSQXVAEFPWMEM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CC(CO)N2CCN(c1ccc(OC(F)(F)F)cc1)CC2)Nc3ccc(Cl)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004800
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    3.6373    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621   12.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.6124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.7124    0.0000 O   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  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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
 12  7  1  0  0  0  0
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 14 13  1  0  0  0  0
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 16 14  1  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19 18  1  0  0  0  0
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 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
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 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 26  1  0  0  0  0
 30 18  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004800-3D
FYIcenter.com

 54 56  0     1  0  0  0  0  0999 V2000
  -10.6887   -0.7972   -0.3758 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7822   -1.4719    1.2809 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7334   -0.6001    0.8244 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7535   -1.8635   -0.6654 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1537   -0.6618   -1.8905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5443    1.9859    0.8359 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9253    0.2266   -0.2442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4442    0.8612    0.0550 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3854    0.5584   -0.1917 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5512    1.6355   -0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4055   -0.7696   -0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9435    1.5522   -0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7977   -0.8530   -0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 31  2  0  0  0  0
 28 53  1  0  0  0  0
 29 31  1  0  0  0  0
 29 54  1  0  0  0  0
M  END
$$$$

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2023-10-12, 2369👍, 0💬