Molecule Editor

Molecule ID: FYI-1007464 Edit

Molecule Structure InChIKey: WNZVWVBGGIMOJZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(C(=O)O)cc(c3nc2CN(C(=O)CC(=O)Cn1cnnn1)CCc2[nH]3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007464
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   17.0572    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3572    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9572    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2572    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9572    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3572    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0572    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0572    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3572    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4572    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8572    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0343    4.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    4.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    2.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0343    2.5047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.9373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    5.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.8373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.8373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.2373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.5540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  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
 15 11  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007464-3D
FYIcenter.com

 49 52  0  0  0  0  0  0  0  0999 V2000
   -1.6856    2.3713   -1.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326    1.1663   -0.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2627    1.2276   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8492    0.0928    0.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2346    0.2034    0.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0400    1.0032    0.5384 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5118   -0.6199    2.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -1.1162    0.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1488   -1.1927   -0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8585   -2.4675    0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7204   -3.4054    0.9378 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5671   -4.4178    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7522   -5.6804    1.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0490   -7.7063    1.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4432   -7.9610    2.5319 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3286   -9.7147   -0.3738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4727  -10.7360   -0.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1295  -12.0794   -0.1539 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1582   -4.9635   -1.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2013   -4.1163   -0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
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  7 35  1  0  0  0  0
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 30 49  1  0  0  0  0
M  END
$$$$