Molecule FYI-1005574

A

Molecule Summary:

ID: FYI-1005574
Names:
InChIKey: NXLFKBNNVKYNNX-UHFFFAOYSA-N
SMILES: Cc2cc(=O)oc3cc(Nc1ccccc1)c(C(=O)O)cc23

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

Molecule ID: FYI-1005574 Edit

Molecule Structure InChIKey: NXLFKBNNVKYNNX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(=O)oc3cc(Nc1ccccc1)c(C(=O)O)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005574
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  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
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 21  6  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005574-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
   -0.3365   -3.0193    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5386   -1.5334   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7673   -0.9942   -0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0187    0.4537   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1605    0.8963   -0.0387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091    1.2715   -0.1965 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    0.7363   -0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4381    1.6599   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7726    1.2524   -0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213    2.2233   -0.0632 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6773    3.5801    0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8508    3.9301    1.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464    5.2557    1.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5084    6.2423    1.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3817    5.8997    0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4736    4.5726   -0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0189   -0.1361   -0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3808   -0.7229    0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6257   -1.7331    0.7083 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3089   -0.0472   -0.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9499   -1.0595    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6195   -0.6311   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900   -3.5587   -0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -3.3248    0.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2255   -3.3466   -0.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6631   -1.6048    0.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1867    2.7116   -0.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    1.8632    0.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2662    3.1759    1.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0702    5.5110    2.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300    7.2742    1.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9901    6.6696   -0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1554    4.3266   -1.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9401    0.6389   -1.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845   -2.1211    0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  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 22  2  0  0  0  0
  8  9  2  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$

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2023-11-13, 2394👍, 0💬