Molecule FYI-1006287

A

Molecule Summary:

ID: FYI-1006287
Names:
InChIKey: UOIFABFUVWVKFZ-UHFFFAOYSA-N
SMILES: O=C4CCC(N3Cc2cc(CNC(=O)Nc1ccc(F)cc1)ccc2C3=O)C(=O)N4

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006287 Edit

Molecule Structure InChIKey: UOIFABFUVWVKFZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C4CCC(N3Cc2cc(CNC(=O)Nc1ccc(F)cc1)ccc2C3=O)C(=O)N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006287
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   19.8787    5.9641    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.6663    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4538    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2414    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2414    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0290    3.1641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8165    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8165    5.2641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6041    3.1641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3916    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4228    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9902    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4538    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6663    3.8641    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  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 18 17  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
 26 17  1  0  0  0  0
 26 14  1  0  0  0  0
 27 26  2  0  0  0  0
 28 15  2  0  0  0  0
 28 11  1  0  0  0  0
 29  5  1  0  0  0  0
 30 29  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006287-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
    7.9865    3.4531    0.4519 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6447   -1.7910    2.2651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4992   -0.7223   -1.2432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2054    3.5113   -0.6367 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0579   -0.2421   -1.5858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4283   -0.2733    0.4666 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3053    1.4094   -0.9278 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9298   -2.3436   -0.6301 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6326   -0.9385    0.0097 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6056    0.5406    0.6147 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4721   -0.0374   -0.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2980   -1.3832   -1.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4072    2.6414   -0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0459   -2.9132    1.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4959   -2.4459   -0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1249   -3.2036    0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9038    3.3189   -1.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
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 29 49  1  0  0  0  0
M  END
$$$$

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2023-12-14, 675👍, 0💬