Molecule Editor

Molecule ID: FYI-1006002 Edit

Molecule Structure InChIKey: SUECNHKSTARKJF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3c(C(=O)Nc2c(C)n(C)n(C1CCCCC1)c2=O)noc3C4CCC(C)CO4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006002
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   15.4693    6.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0770    6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5076    7.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1153    7.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924    6.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8618    5.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2541    5.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9001    6.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2001    7.9037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8306    7.6126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    4.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    6.2203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4769    7.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    5.0494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4389    5.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    3.8370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    4.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9410    3.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9632    5.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2543    4.2815    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
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 27 15  1  0  0  0  0
 28 27  2  0  0  0  0
 29 11  1  0  0  0  0
 29  8  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006002-3D
FYIcenter.com

 62 65  0     1  0  0  0  0  0999 V2000
   -5.9750   -0.7664   -0.4327 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4801    1.1239    0.1716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4513   -1.1387    0.3933 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472    0.8822   -0.9238 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1896   -0.4850   -0.0185 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1598   -1.8683   -0.1575 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.6690   -1.1745    0.1181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754   -1.3336    0.3943 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4063    0.2861   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9873    0.5286    1.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1463    1.5041    0.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6520    1.2015    0.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1979    0.4276   -0.2786 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$