Molecule Editor

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
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4037   12.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1912   11.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4823   10.1381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9122   12.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659   13.4693    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7796   11.2540    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  8  2  0  0  0  0
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 33 32  1  0  0  0  0
 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
   -3.4559    2.7172    1.5620 F   0  0  0  0  0  0  0  0  0  0  0  0
   -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
   -1.8776    3.2246   -1.5378 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9897   -0.3250    2.2761 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4376    1.7514    1.9846 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1693   -1.1190    2.1357 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7641   -0.0489    0.3991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831   -1.7125    0.1950 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2466   -0.2262   -1.7781 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3937    0.1719   -1.1175 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6983   -1.9872    0.7303 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7473   -1.0306    0.1360 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0654   -3.4535    0.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1602   -1.3840    0.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4721   -3.7814    0.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$