Molecule FYI-1016246

A

Molecule Summary:

ID: FYI-1016246
Names:
InChIKey: LLEOOSLUHRQCHZ-SREVYHEPSA-N
SMILES: CC(/C=C\\C(F)(F)F)Oc3cc(c2cc(c1cc(CN(C)C)cs1)cnc2N)ccc3C(N)=O

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016246 Edit

Molecule Structure InChIKey: LLEOOSLUHRQCHZ-SREVYHEPSA-N

Molecule Structure SMILES String: CC(/C=C\C(F)(F)F)Oc3cc(c2cc(c1cc(CN(C)C)cs1)cnc2N)ccc3C(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016246
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
    3.6372    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5534    9.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903   10.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8826   10.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4520    9.3580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292    8.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8444    9.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903   11.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    9.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.4248    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 20 10  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  8  1  0  0  0  0
 23 22  1  0  0  0  0
 24  7  1  0  0  0  0
 25 24  2  0  0  0  0
 25  4  1  0  0  0  0
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 33 31  1  0  0  0  0
 34 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016246-3D
FYIcenter.com

 59 61  0     1  0  0  0  0  0999 V2000
    4.6621   -1.9950    0.7318 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6276    2.4275    0.9873 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8032    3.0732   -0.0133 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8595    1.1547    1.0175 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3216   -0.5278   -1.8349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3796   -3.6625   -0.9761 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0428    1.0525   -1.0118 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7279    1.6955    2.2328 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6272    1.5716    2.4291 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5340   -2.1383    0.2898 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5267   -0.0504    1.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2194   -0.5677   -0.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9203    0.0868    0.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3665   -0.1296   -1.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1746   -0.3959    0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7220   -0.5400    0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0974    0.2564   -0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6322   -0.9376   -0.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4342   -0.3031   -0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5832    1.0600    1.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969   -1.7462    1.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1115   -1.8182   -0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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