Molecule FYI-1003347

A

Molecule Summary:

ID: FYI-1003347
Names:
InChIKey: BGSIFDQKHZHFOI-UHFFFAOYSA-N
SMILES: O=C5Cc4cc(Nc3ncc(C(F)(F)F)c(Nc2ccc1NC(=O)Cc1c2)n3)ccc4N5

Received at FYIcenter.com on: 2023-06-02

Molecule ID: FYI-1003347 Edit

Molecule Structure InChIKey: BGSIFDQKHZHFOI-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C5Cc4cc(Nc3ncc(C(F)(F)F)c(Nc2ccc1NC(=O)Cc1c2)n3)ccc4N5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003347
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
   13.2539    6.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0310    7.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.0965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.5965    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    5.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3015    2.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0867    0.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 23  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 31  1  0  0  0  0
 26 29  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003347-3D
FYIcenter.com

 47 51  0  0  0  0  0  0  0  0999 V2000
    2.2426   -0.7278   -3.9312 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2171   -0.6317   -3.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3499   -1.7855   -2.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545   -1.0567   -2.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8689   -1.5510   -1.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7969   -0.6374   -0.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9494   -1.1304   -0.2379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1750   -0.4708   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9071   -0.7139    0.9558 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0688   -0.0407    1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4132    1.2610    1.5054 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6669    2.9258    0.3315 F   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7415    1.2993   -0.6374 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7256    1.0393   -0.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0875    1.9130   -2.0470 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5045    1.8574   -3.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3118    0.6052   -3.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6656    0.4912   -5.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2332    1.6537   -5.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5237    1.7854   -6.9836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2354    3.1159   -7.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
 32 47  1  0  0  0  0
M  END
$$$$

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2023-06-19, 674👍, 0💬