Molecule FYI-1001409

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A

Molecule Summary:

ID: FYI-1001409
SMILES: Cc1cc(Nc2ncc(C(F)(F)F)c(NCc3cccnc3N(C)S(C)(=O)=O)n2)ccc1O

Received at FYIcenter.com on: 2022-07-13

Molecule ID: FYI-1001409 Edit

Molecule Structure SMILES String: Cc1cc(Nc2ncc(C(F)(F)F)c(NCc3cccnc3N(C)S(C)(=O)=O)n2)ccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001409
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    8.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   11.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   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  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
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 17 16  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
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
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 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  2  0  0  0  0
 28 25  2  0  0  0  0
 29 14  2  0  0  0  0
 29  6  1  0  0  0  0
 30  4  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32  2  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001409-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    0.3117   -1.4230   -4.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7838   -0.7860   -2.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7193   -1.4486   -2.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1934   -0.9018   -0.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1402   -1.5475   -0.1448 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4971   -2.9043   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483   -3.3314    1.0940 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1029   -4.6609    1.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -5.5798    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9218   -7.0304    0.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3176   -7.3053    1.7963 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7555   -7.7073    0.3478 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8332   -7.6610   -0.2793 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4803   -5.0603   -1.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1254   -5.8869   -2.0926 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3263   -5.3444   -3.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978   -5.3969   -4.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6245   -4.8975   -5.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7663   -4.7700   -6.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4531   -5.0935   -6.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0066   -5.5806   -5.4265 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604   -5.8190   -4.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2215   -6.7210   -3.4543 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7456   -7.6776   -4.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2562   -7.1193   -1.4090 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3473   -3.7247   -1.1463 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7964    1.0565   -1.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5904    1.1051   -3.3636 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1118   -4.4177   -7.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1024    0.8677    0.2835 H   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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  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  2  0  0  0  0
  3  4  2  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
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 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  2  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  2  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 30 31  2  0  0  0  0
 30 52  1  0  0  0  0
 31 32  1  0  0  0  0
 31 53  1  0  0  0  0
 32 33  1  0  0  0  0
 33 54  1  0  0  0  0
M  END
$$$$

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2022-10-07, 416👍, 0💬