Molecule Editor

Molecule ID: FYI-1004587 Edit

Molecule Structure InChIKey: YIFGGAIZEIIHAL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c5nc4c(F)cc(c3nc(Nc2ccc(CN1CCN(CC)CC1)cn2)ncc3F)cc4n5C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004587
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
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    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5657    6.2693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6289    7.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0615    8.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2595    7.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580    7.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0580    7.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580    8.8406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7580    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1580    6.4157    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
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 18 17  2  0  0  0  0
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 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
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 28 23  1  0  0  0  0
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 30 26  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
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 33 32  1  0  0  0  0
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 37 20  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004587-3D
FYIcenter.com

 75 79  0  0  0  0  0  0  0  0999 V2000
    3.9663    2.7099    4.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7039    3.1379    4.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0903    3.7336    2.7763 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3933    5.0632    2.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1056    5.7916    3.7715 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1773    5.4394    1.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4571    4.5774    0.6953 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2508    5.2312   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8379    4.7755   -1.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    3.5116   -1.8078 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6276    5.6359   -2.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8492    6.9638   -1.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7243    7.8711   -2.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4266    8.7441   -1.7844 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2966    9.5875   -2.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0886   10.4188   -1.5839 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4050   10.3440   -0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5944    9.7037    0.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9846    9.6146    2.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1726   10.2067    2.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5854   10.1591    3.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3405   11.4048    4.6331 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8217   11.2802    6.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9114   10.4329    6.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3053   12.0426    7.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9303   11.8497    4.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9182   10.8515    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5624   10.9285    0.1520 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4717    9.6383   -3.6889 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7549    8.7687   -4.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8725    7.8543   -3.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2499    7.4214   -0.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4665    6.5437    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 75  1  0  0  0  0
M  END
$$$$