Molecule FYI-1008070

A

Molecule Summary:

ID: FYI-1008070
Names:
InChIKey: PSBBWFNMHDUTRH-DLBZAZTESA-N
SMILES: C[C@@]3(c2nc(NC(=O)c1ncc(C(F)(F)F)cc1Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N3

Received at FYIcenter.com on: 2024-04-11

Molecule ID: FYI-1008070 Edit

Molecule Structure InChIKey: PSBBWFNMHDUTRH-DLBZAZTESA-N

Molecule Structure SMILES String: C[C@@]3(c2nc(NC(=O)c1ncc(C(F)(F)F)cc1Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N3

Download SDF Download SVG Structure in 2D SDF:

FYI-1008070
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
   10.9120    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.8124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.8124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.1124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 33 32  2  0  0  0  0
 33 14  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008070-3D
FYIcenter.com

 49 51  0     1  0  0  0  0  0999 V2000
    3.9964    0.5262   -3.0012 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.3232   -2.4089   -1.0692 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4856   -3.5714   -0.8743 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4107   -2.6871    0.8943 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7351    2.9971    0.1100 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8847   -1.9215   -0.5801 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -0.7991    1.2649 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9822   -2.6346    1.2650 F   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9481    0.7498    0.7229 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260    0.9296    0.0981 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0539    0.4904    1.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2957    0.4973    1.4051 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -5.1082   -0.0092   -0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1853    1.2946    0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3656    0.9519    2.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1623   -2.5133   -0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4254   -0.3727    2.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
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 33 49  1  0  0  0  0
M  END
$$$$

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2024-07-25, 806👍, 0💬