Molecule FYI-1001150

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Molecule Summary:

ID: FYI-1001150
SMILES: Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O

Received at FYIcenter.com on: 2022-02-07

Molecule ID: FYI-1001150 Edit

Molecule Structure SMILES String: Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001150
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2656    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4104    0.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7353    0.3534    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5751    1.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7691    2.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4314    2.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.9943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.8943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.8943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2806    3.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6767    4.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 17 16  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
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 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25  5  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001150-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
    1.1340    0.4348    0.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5377   -0.0557    0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    1.2225    0.0078 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9665    0.1350   -0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5565   -1.1870   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1109   -1.3306   -0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891   -2.5606   -0.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784   -2.5487   -0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689   -1.6491   -1.1611 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904   -3.8087   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9193   -3.6116    0.8137 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235   -3.3235    2.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7339   -3.5162    3.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9408   -2.7409    2.7845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8202   -1.3482    3.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2294   -2.8607    1.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1191   -3.7901   -0.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244   -4.7095   -1.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9406   -6.0380   -1.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0282   -6.4842   -0.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7272   -5.5724   -0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3180   -4.2215   -0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2606   -3.4277    0.5708 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5972   -2.1704    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960   -1.8859    0.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8494   -4.5573    0.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2227   -4.2611   -1.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.3079    2.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0008   -2.1377    1.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6837   -3.8483    1.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3412   -3.0097   -0.6259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6816   -4.4080   -2.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4006   -6.7182   -2.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3620   -7.5159   -1.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6354   -5.9226    0.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1137   -3.9047    0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
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  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
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  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
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 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  2  0  0  0  0
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 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 174👍, 0💬