Molecule FYI-1009277

A

Molecule Summary:

ID: FYI-1009277
Names:
InChIKey: UUKAAKKWNVHJMJ-KFMYLYIWSA-N
SMILES: CCOC(=O)c4nc3CN([C@@H]2C[C@H](N)C(c1cc(F)c(F)cc1F)O[C@@H]2C(F)(F)F)Cc3n4C

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009277 Edit

Molecule Structure InChIKey: UUKAAKKWNVHJMJ-KFMYLYIWSA-N

Molecule Structure SMILES String: CCOC(=O)c4nc3CN([C@@H]2C[C@H](N)C(c1cc(F)c(F)cc1F)O[C@@H]2C(F)(F)F)Cc3n4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009277
FYIcenter.com

 34 37  0  0  1  0  0  0  0  0999 V2000
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    2.9229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4250   12.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.0088    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009277-3D
FYIcenter.com

 56 59  0  0  1  0  0  0  0  0999 V2000
    2.5358    0.6179   -1.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7832   -0.0249   -0.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4726    0.9786    0.0534 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882    1.7794   -0.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7543    1.4740   -1.7835 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4269    3.0653   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8236    3.4224    1.1020 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1497    4.7220    1.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050    5.7665    2.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8422    6.8398    1.8159 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.6993    7.5490    2.7597 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.0109    4.5213    4.3225 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4072    6.7095    5.5775 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0163    7.6605    6.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8041    9.9661    9.1696 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0228    9.3892    8.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5092   10.2206    9.5240 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9004    8.6773    7.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3067    7.2070    6.0637 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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