Molecule Editor

Molecule ID: FYI-1003894 Edit

Molecule Structure InChIKey: BVJIHVILXNUWHB-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)NC5CN(C4CCN(c3ccc(Nc2nc(NC1CCOCC1C)c(CC)nc2C(N)=O)cc3OC)CC4)CCN5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003894
FYIcenter.com

 46 50  0  0  0  0  0  0  0  0999 V2000
    1.2124   18.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   16.8001    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   16.8001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.8001    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   18.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    9.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    3.6374   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 N   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
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    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
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 11  9  1  0  0  0  0
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 44 46  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003894-3D
FYIcenter.com

 95 99  0  0  1  0  0  0  0  0999 V2000
    4.5039    6.4668    4.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0693    6.7409    3.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3193    5.6602    2.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0631    4.4860    2.6484 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8735    6.1333    1.2614 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2162    5.2535    0.1706 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6475    4.6335    0.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8793    3.6283   -0.7368 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.0384    2.7089   -0.5601 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8520    1.7749    0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1153    1.4736    1.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9879    0.2520    2.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
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 45 46  1  0  0  0  0
 46 93  1  0  0  0  0
 46 94  1  0  0  0  0
 46 95  1  0  0  0  0
M  END
$$$$