Molecule FYI-1010230

A

Molecule Summary:

ID: FYI-1010230
Names:
InChIKey: DMTKLTFJHAUUOZ-UHFFFAOYSA-N
SMILES: O=C(Nc2nc(c1ccc[nH]1)cs2)c5ccc4nc(N3CCC(F)CC3)sc4c5

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010230 Edit

Molecule Structure InChIKey: DMTKLTFJHAUUOZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2nc(c1ccc[nH]1)cs2)c5ccc4nc(N3CCC(F)CC3)sc4c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1010230
FYIcenter.com

 29 33  0  0  0  0  0  0  0  0999 V2000
    9.4612   11.2656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2488   10.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363   11.2656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8239   10.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5450   11.1349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081   10.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158   10.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5158   11.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1464   11.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    9.2005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3081    8.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6776    9.1732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2488    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4612    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4612    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2488    6.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5399    4.9962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9322    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6322    3.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9322    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0322    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7322    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7322    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0322    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5016    6.1288    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
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 13 12  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
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 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 28 22  1  0  0  0  0
 29 21  1  0  0  0  0
 29 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010230-3D
FYIcenter.com

 47 51  0  0  0  0  0  0  0  0999 V2000
    1.1879   -0.7632    0.3097 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -0.5570    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8922    0.4227   -0.7481 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1681    1.4080   -1.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9243    1.8031   -1.2310 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6958    2.8631   -2.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6095    3.5751   -2.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9698    4.6147   -3.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2976    4.9880   -2.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7087    4.1640   -1.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6831    3.2987   -1.3643 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735    3.2234   -2.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1294    2.2664   -2.4901 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4014   -1.4856    0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1482   -2.8590    0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931   -3.7498    1.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2780   -3.2520    1.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2433   -3.9937    2.4150 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1562   -3.2199    2.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1046   -3.6748    3.8422 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2461   -5.1116    4.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3092   -5.3766    5.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3741   -4.5180    6.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6003   -4.9315    5.8214 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2176   -3.0445    5.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1669   -2.8441    4.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.5542    2.5090 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5089   -1.8809    1.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1256   -3.1245    3.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0348   -1.7749    4.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8107    0.0881    1.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
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 14 29  2  0  0  0  0
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 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 47  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1201👍, 0💬