Molecule FYI-1013568

A

Molecule Summary:

ID: FYI-1013568
Names:
InChIKey: WMONHWPOTBNXDP-UHFFFAOYSA-N
SMILES: C=C(Cn5c(C)c(n2nnc1cc(F)c(F)cc12)c(=O)n(c3cncc4ccccc34)c5=O)SC(N)C=O

Received at FYIcenter.com on: 2025-01-10

Molecule ID: FYI-1013568 Edit

Molecule Structure InChIKey: WMONHWPOTBNXDP-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(Cn5c(C)c(n2nnc1cc(F)c(F)cc12)c(=O)n(c3cncc4ccccc34)c5=O)SC(N)C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013568
FYIcenter.com

 38 42  0  0  0  0  0  0  0  0999 V2000
    2.2158    8.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    7.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    5.3868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    5.9561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7715    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    0.5821    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    5.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    3.9868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    6.0868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.2868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    5.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    6.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    7.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    8.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    6.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    7.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    8.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    8.1867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    9.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   10.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158   10.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1281   11.4992    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281   11.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2281   12.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6281   12.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2282   10.2868    0.0000 N   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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  4  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  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  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27 18  1  0  0  0  0
 27 22  2  0  0  0  0
 28 17  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 30  2  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 35 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013568-3D
FYIcenter.com

 57 61  0  0  1  0  0  0  0  0999 V2000
    1.2300   -1.0604    1.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3109   -0.4305    0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9934   -0.8037   -0.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0383   -1.2794   -1.8237 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4189   -0.3747   -2.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5465    1.1176   -2.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7175   -0.8007   -3.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1120    0.0879   -4.7143 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0482    1.4629   -4.5896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1243    1.8570   -5.0364 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004    0.8579   -5.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7950    0.7643   -6.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9431   -0.3446   -7.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1156   -0.5163   -7.9930 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9141   -1.2605   -7.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0810   -2.2756   -8.4278 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7242   -1.1918   -6.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6556   -0.1704   -5.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410   -2.2767   -3.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -2.6779   -4.5558 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593   -3.1485   -3.0120 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2177   -4.5773   -3.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056   -4.8888   -4.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5455   -6.0737   -5.3191 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966   -7.0018   -4.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -6.8524   -3.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011   -7.9029   -2.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7367   -8.2357   -1.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596   -7.2231   -0.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0330   -5.9179   -1.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4469   -5.6958   -2.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9567   -2.6855   -1.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6136   -3.4034   -1.2443 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9321    0.9907    1.3470 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2706    0.4370    3.0407 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2940   -0.6029    3.0683 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7630    1.6575    3.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9308    2.0366    3.8976 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8026   -1.9214    0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -0.7438    1.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590   -1.5581   -0.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5616    0.0312   -1.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0987    1.3793   -1.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5549    1.5513   -2.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0619    1.6391   -3.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5829    1.4879   -6.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0437   -1.9476   -6.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9773   -4.1496   -5.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3031   -7.9427   -4.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5501   -7.7121   -2.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165   -9.2781   -0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5239   -7.4510    0.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261   -5.1278   -0.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3635    0.0760    3.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -0.2335    2.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9723   -1.4094    2.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9610    2.2521    4.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 41  1  0  0  0  0
  3 42  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  2  0  0  0  0
 12 13  2  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 22 23  1  0  0  0  0
 22 31  2  0  0  0  0
 23 24  2  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  2  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  2  0  0  0  0
 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 30 53  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 54  1  0  0  0  0
 36 55  1  0  0  0  0
 36 56  1  0  0  0  0
 37 38  2  0  0  0  0
 37 57  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 338👍, 0💬