Molecule FYI-1005569

A

Molecule Summary:

ID: FYI-1005569
Names:
InChIKey: YLDHETJVVJRQTR-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(NC(c1ccccc1)c2ccccc2)c(Br)cc34

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005569 Edit

Molecule Structure InChIKey: YLDHETJVVJRQTR-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(NC(c1ccccc1)c2ccccc2)c(Br)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005569
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.7000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.3999    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
    9.6996    4.9000    0.0000 C   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
  2  1  1  0  0  0  0
  3  2  2  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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  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  5  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26  4  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005569-3D
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.6956    0.1562   -2.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1080   -0.3140   -2.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0287    0.4460   -3.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4219    0.0176   -3.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2592    0.7951   -3.7211 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144   -1.3005   -2.9872 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8405   -2.0397   -2.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3883   -3.1734   -1.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6969   -3.8176   -0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2736   -4.8362    0.2277 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7103   -4.8362    0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9161   -4.0007    1.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8591   -4.5655    3.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8979   -3.7620    4.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0101   -2.3828    4.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1444   -1.8035    2.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0929   -2.6072    1.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1994   -6.2870    0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5533   -6.5725    0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0308   -7.8833    0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1721   -8.9240    0.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8208   -8.6641    1.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3435   -7.3535    1.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3456   -3.4560   -0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -4.3827    0.8991 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7720   -2.3677   -1.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5476   -1.5949   -1.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4515    0.2622   -1.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9913   -0.5466   -2.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.4373   -3.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3811   -3.4907   -1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7118   -4.9884    1.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3053   -4.3776   -0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7755   -5.6432    3.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2440   -5.7821    0.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0884   -8.0942    0.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5503   -9.9419    0.9612 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1439   -9.4773    1.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2839   -7.1839    1.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -2.0986   -0.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
$$$$

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2023-11-13, 2892👍, 0💬