Molecule FYI-1003479

A

Molecule Summary:

ID: FYI-1003479
Names:
InChIKey: LPLJRULTXDFILS-FQEVSTJZSA-N
SMILES: C[C@]4(C(=O)Nc2nccc(c1ccc(F)c(F)c1)n2)Oc3ccccc3NC4=O

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003479 Edit

Molecule Structure InChIKey: LPLJRULTXDFILS-FQEVSTJZSA-N

Molecule Structure SMILES String: C[C@]4(C(=O)Nc2nccc(c1ccc(F)c(F)c1)n2)Oc3ccccc3NC4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003479
FYIcenter.com

 29 32  0  0  1  0  0  0  0  0999 V2000
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  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
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13  2  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  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  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  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 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 29 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003479-3D
FYIcenter.com

 43 46  0  0  1  0  0  0  0  0999 V2000
    3.0507    0.5672   -1.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5484    0.0356   -0.0574 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9966    0.0737   -0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4362    0.2804   -1.2020 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3261   -0.0850    1.0740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0670   -0.0410    1.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8294   -0.1176    0.0889 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1573   -0.0113    0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565    0.1747    1.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9096    0.2491    2.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4214    0.5488    3.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8078    0.0118    5.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2797    0.3045    6.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3763    1.1430    6.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8258    1.4286    7.7168 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9969    1.6887    5.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0515    2.5034    5.5157 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5295    1.3999    4.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5623    0.1048    2.4243 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0182    0.9084    0.9848 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3745    0.8006    1.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0212    1.8838    1.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4018    1.8348    2.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1329    0.7035    1.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4816   -0.3997    1.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028   -0.3512    0.8822 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4242   -1.4689    0.3880 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -1.4018    0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256   -2.4235   -0.0909 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1419    0.5965   -1.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7009    1.5925   -1.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6926   -0.0621   -2.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8198   -0.0867    1.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9472   -0.6478    4.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7983   -0.1169    7.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0375    1.8719    3.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4606    2.7696    2.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9133    2.6828    2.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2103    0.6798    1.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0607   -1.2741    0.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8730   -2.3743    0.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2 20  1  0  0  0  0
  2 28  1  0  0  0  0
  2  3  1  1  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  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 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 38  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
$$$$

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2023-07-08, 1533👍, 0💬