Molecule FYI-1013532

A

Molecule Summary:

ID: FYI-1013532
Names:
InChIKey: LRJIGYRPIBILRT-UHFFFAOYSA-N
SMILES: O=c4c1ccccc1n(Cc3ccc(c2noc(C(F)(F)F)n2)cc3)c(=O)n4c5ccccc5

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

Molecule ID: FYI-1013532 Edit

Molecule Structure InChIKey: LRJIGYRPIBILRT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c4c1ccccc1n(Cc3ccc(c2noc(C(F)(F)F)n2)cc3)c(=O)n4c5ccccc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1013532
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
   13.0636    4.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8512    6.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0636    7.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0636    8.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8512    9.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6388    8.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6388    7.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4264    4.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2138    4.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 33 26  1  0  0  0  0
 33  9  1  0  0  0  0
 34 33  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013532-3D
FYIcenter.com

 49 53  0  0  0  0  0  0  0  0999 V2000
    1.0095   -0.1342    0.2085 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2196   -0.0193    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257   -1.2465    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3626   -2.4878    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1305   -2.3725    0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4149   -1.1653    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0458    0.1082   -0.0030 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6873   -0.5612    3.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6203    0.6957    4.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7436    0.8440    5.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8910   -0.1804    6.5386 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6414    1.7542    7.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5048    2.5993    8.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5663    1.8825    9.9530 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4826    3.5419    8.8799 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3197    3.2674    8.8276 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-02-16, 1136👍, 0💬