Molecule FYI-1003553

A

Molecule Summary:

ID: FYI-1003553
Names:
InChIKey: JWDRIRNQLKOAII-UHFFFAOYSA-N
SMILES: Cc1noc(C)c1CN4C(=O)COc3ccc(NC(=O)c2ccccc2)cc34

Received at FYIcenter.com on: 2023-07-01

Molecule ID: FYI-1003553 Edit

Molecule Structure InChIKey: JWDRIRNQLKOAII-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1noc(C)c1CN4C(=O)COc3ccc(NC(=O)c2ccccc2)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003553
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.6517    4.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2193    2.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1583    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4567    0.6472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0840    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0412    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9374    2.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    3.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    4.4395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9374    5.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0823    4.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9374    6.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    7.2460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5068    6.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2916    7.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0763    6.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0763    5.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    4.4395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    5.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    6.5444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4305    4.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    5.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    2.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4305    3.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2916    4.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5068    5.1411    0.0000 C   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 17  1  0  0  0  0
 28 27  2  0  0  0  0
 28  9  1  0  0  0  0
 28 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003553-3D
FYIcenter.com

 47 50  0     0  0  0  0  0  0999 V2000
    3.1873   -2.8470    0.3565 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    2.9401    1.8403 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2590   -0.3735   -1.1323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2006   -2.3027    0.8803 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9443   -0.2986   -0.8512 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8818   -0.6557   -0.1086 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1937    3.5694    0.9930 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8205    1.0914   -1.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7939   -1.0117   -0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3476    1.9763   -0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9594   -2.2707    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909   -0.9198   -0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1355   -2.4109   -0.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4985   -0.4812   -0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7789    1.9935    1.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3614    2.9769   -0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5989   -1.1960   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8649   -2.9771    0.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4159   -2.4416    0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828    1.2293    1.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5470    3.4050   -1.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1025   -1.2100    0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2965   -0.3991    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4274   -0.5038    0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2964    0.4740   -1.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5579    1.1372   -0.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1502    1.1300   -2.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1211   -2.7223   -0.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604   -2.9259   -1.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    0.4657   -0.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0070   -3.9459    1.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7166    1.1497    1.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1207    3.3621   -2.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4443   -1.1757    1.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4555    0.5613   -1.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4384    0.1831    1.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4310    1.9156   -2.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4389    1.7339   -0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3 12  2  0  0  0  0
  4 22  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 17  1  0  0  0  0
  6 22  1  0  0  0  0
  6 42  1  0  0  0  0
  7 16  2  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
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 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 17  2  0  0  0  0
 14 33  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 43  1  0  0  0  0
 25 27  2  0  0  0  0
 25 44  1  0  0  0  0
 26 28  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-11, 3245👍, 0💬