Molecule Editor

Molecule ID: FYI-1003923 Edit

Molecule Structure InChIKey: IEBSEGUUQWOINN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc4nc(C(N)=O)c(Nc3ccc(N2CCC(N1CCN(C)C(F)C1)CC2)c(OC)c3)nc4NC5CCOCC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003923
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
    1.2119   18.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119   16.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   16.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   14.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360   13.9948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480   14.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480   16.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360   16.7938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0599   16.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2717   16.0940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6360    8.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119   13.9948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119   12.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    9.7964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   10.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   11.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179    1.3890    0.0000 F   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  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 17  2  0  0  0  0
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 19 16  1  0  0  0  0
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 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
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 25 22  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 25  1  0  0  0  0
 31 28  1  0  0  0  0
 32 15  1  0  0  0  0
 33 32  1  0  0  0  0
 34  4  1  0  0  0  0
 35 34  1  0  0  0  0
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 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 40 35  1  0  0  0  0
 27 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003923-3D
FYIcenter.com

 84 88  0  0  1  0  0  0  0  0999 V2000
    2.9100   -1.7194   -0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9920    0.4817   -1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4518   -0.3095   -2.2309 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0656   -0.5290   -4.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1284   -1.8796   -4.3480 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2855   -0.0638   -5.6815 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2984    2.2044   -4.7997 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7635    6.0588   -6.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538    7.3282   -6.8780 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8728    7.4235   -8.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8483   10.5445   -8.7234 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8500   10.4325  -10.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9591   11.2604  -10.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2758    3.6875   -6.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$