Molecule Editor

Molecule ID: FYI-1007852 Edit

Molecule Structure InChIKey: AKSVALRPYDVQBS-CABCVRRESA-N

Molecule Structure SMILES String: C[C@H](c1ccc(Cl)cc1Cl)n5nc(C(F)(F)F)c4ncc(N3CC([C@H]2CCCN(CCO)C2)C3)nc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1007852
FYIcenter.com

 36 40  0  0  1  0  0  0  0  0999 V2000
   11.2107   13.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9983   13.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7858   13.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5734   13.1301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610   13.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1485   13.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1485   11.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610   11.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5734   11.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610    9.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3711    8.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610    7.6503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2429    5.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5041    6.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    5.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0867    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    8.8305    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8019    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  1  0  0  0
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 22 21  2  0  0  0  0
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 23 22  1  0  0  0  0
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 27 20  1  6  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007852-3D
FYIcenter.com

 63 67  0     1  0  0  0  0  0999 V2000
   -1.3895   -2.4590    1.2314 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2228   -4.7209    1.9302 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9545    4.3290    0.2532 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0338   -0.6364   -0.3301 N   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.6118    0.2066   -0.8421 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1299    0.8350    0.2698 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.6289    0.0932    0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9849    0.2856    0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712    1.5042    0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5578   -2.0020   -0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$