Molecule Editor

Molecule ID: FYI-1003912 Edit

Molecule Structure InChIKey: PVZSNUMKOHIYAY-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CC5CN(C4CCN(c3ccc(Nc2nc(NC1CCOCC1)c(CC)nc2C(N)=O)cc3OC)CC4)CCN5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003912
FYIcenter.com

 42 46  0  0  0  0  0  0  0  0999 V2000
    1.2124   18.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   16.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   16.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   14.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   14.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   14.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   16.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   16.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   16.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   18.2002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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  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
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 23 22  1  0  0  0  0
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 28 27  1  0  0  0  0
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 30 25  1  0  0  0  0
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 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
 41 42  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003912-3D
FYIcenter.com

 86 90  0  0  1  0  0  0  0  0999 V2000
    1.7972    2.6648   -6.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4151    0.5820   -4.3295 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1877    0.8635   -3.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8971    2.4263   -1.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4277    3.7049   -1.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8837    3.6050   -1.8620 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6559    4.7513   -1.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0493    8.2349   -1.3536 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4051    8.4021   -1.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2213    7.3219   -1.4543 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$