Molecule FYI-1004250

A

Molecule Summary:

ID: FYI-1004250
Names:
InChIKey: GIDKNRCCVBLKIP-UHFFFAOYSA-N
SMILES: COc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cc2ccc(C(=O)NO)cc2F

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004250 Edit

Molecule Structure InChIKey: GIDKNRCCVBLKIP-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cc2ccc(C(=O)NO)cc2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1004250
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6374    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
    6.0622    4.2000    0.0000 N   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
    8.4871    4.2000    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
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   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
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.9876    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
    0.5124    5.4124    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  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  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 17  7  1  0  0  0  0
 18  5  2  0  0  0  0
 19  4  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
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27  2  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004250-3D
FYIcenter.com

 57 58  0  0  0  0  0  0  0  0999 V2000
    6.7592   -1.3030    1.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1515   -0.1895    0.8801 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    0.2374    1.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071   -0.3946    2.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0742    0.0469    2.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582    1.1420    2.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0491    1.7557    1.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2745    1.3086    0.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6806    1.8846   -0.5261 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0074    2.5033   -0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412    4.0556   -0.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1015    4.6382   -0.8785 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8662    4.7333   -0.3736 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7705    6.2077   -0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500    6.9590   -1.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147    6.5910    0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6631    6.6884    0.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.6805   -1.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7453    1.1037   -1.5348 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2627    2.1820   -3.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8234    1.1092   -3.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0948   -0.0572   -4.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5994   -1.0147   -5.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8423   -0.8171   -5.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4062   -1.8077   -6.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1762   -1.4675   -7.5506 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7300   -4.0640   -7.2601 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5599    0.3560   -5.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493    1.2938   -4.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612    2.4083   -4.3188 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7649   -1.4478    1.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5900   -0.4805    3.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977    1.4933    2.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2133    7.6747    0.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9764    6.1014    1.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2676   -3.4875   -7.8506 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 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  2  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 30  2  0  0  0  0
 22 23  2  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
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 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 30  1  0  0  0  0
 29 57  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

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2023-09-16, 2116👍, 0💬