Molecule FYI-1001291

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A

Molecule Summary:

ID: FYI-1001291
SMILES: NC(=O)c1ccc(cc1)-c1nc(COC(=O)c2cc3c(ccc4ccccc34)o2)cs1

Received at FYIcenter.com on: 2022-05-03

Molecule ID: FYI-1001291 Edit

Molecule Structure SMILES String: NC(=O)c1ccc(cc1)-c1nc(COC(=O)c2cc3c(ccc4ccccc34)o2)cs1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001291
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
   19.8735    1.8777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0506    3.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6200    4.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6582    2.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8354    3.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4429    3.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8736    2.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6965    1.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0888    1.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4813    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5444    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8407    2.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6282    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1369    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2695    1.5036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4118    1.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7813    1.2125    0.0000 S   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
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  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
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 15 14  1  0  0  0  0
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 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 28 19  1  0  0  0  0
 28 23  2  0  0  0  0
 29 20  1  0  0  0  0
 29 17  1  0  0  0  0
 30 12  2  0  0  0  0
 31 30  1  0  0  0  0
 31 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001291-3D
FYIcenter.com

 47 51  0  0  0  0  0  0  0  0999 V2000
    7.5335    0.1648    3.1103 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5833   -1.1786    3.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852   -1.6136    4.4678 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2727   -2.0755    2.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5464   -1.7105    0.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2836   -2.6107   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7380   -3.8813    0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4698   -4.2400    1.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7452   -3.3448    2.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5196   -4.8038   -1.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2633   -4.8188   -2.1078 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8188   -5.7916   -2.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5452   -5.9686   -4.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4302   -4.8061   -5.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2198   -4.7041   -5.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3097   -5.5299   -5.6381 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1991   -3.5746   -6.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0734   -2.5285   -6.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6253   -1.9056   -8.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4782   -2.5905   -8.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8178   -2.4025   -9.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5652   -1.7378  -10.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7998   -1.1362  -10.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7810   -0.8039  -11.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0485   -0.3566  -10.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2700   -0.0022   -9.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   -0.1388   -8.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2140   -5.9273   -1.0231 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5530   -3.6418    3.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2140   -6.8666   -4.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6063   -6.1031   -4.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0106   -2.3521   -6.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8922   -2.9177   -9.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2094   -1.7597  -11.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6137   -1.0229  -12.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8495   -0.2414  -11.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2104    0.4337   -9.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9515    0.8030   -8.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1618   -7.2680   -3.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
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  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
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 17 29  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 28  2  0  0  0  0
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 21 41  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 30 31  1  0  0  0  0
 30 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 2317👍, 0💬