Molecule FYI-1004799

A

Molecule Summary:

ID: FYI-1004799
Names:
InChIKey: OTPOPNFYEGYICX-ZYHUDNBSSA-N
SMILES: O=C(N[C@@H]1CCCC[C@H]1N4Cc3ncc(c2nnc(C(F)F)o2)cc3C4=O)C(F)(F)C(F)(F)F

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004799 Edit

Molecule Structure InChIKey: OTPOPNFYEGYICX-ZYHUDNBSSA-N

Molecule Structure SMILES String: O=C(N[C@@H]1CCCC[C@H]1N4Cc3ncc(c2nnc(C(F)F)o2)cc3C4=O)C(F)(F)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1004799
FYIcenter.com

 34 37  0  0  1  0  0  0  0  0999 V2000
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    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004799-3D
FYIcenter.com

 50 53  0     1  0  0  0  0  0999 V2000
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   -4.2482    3.7124   -0.2023 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0671    2.2523    0.2359 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6610    4.3518    0.3166 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4376    1.7514    1.9846 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3937    0.1719   -1.1175 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-10-12, 2588👍, 0💬