Molecule FYI-1005862

A

Molecule Summary:

ID: FYI-1005862
Names:
InChIKey: VIRSIBPHMPQEFV-UHFFFAOYSA-N
SMILES: COC(=O)C(CO)NC(=O)c2cc(C)n(c1ccc(F)cc1)c2C

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005862 Edit

Molecule Structure InChIKey: VIRSIBPHMPQEFV-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C(CO)NC(=O)c2cc(C)n(c1ccc(F)cc1)c2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005862
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   11.3217    6.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    7.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    6.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    5.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    7.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    8.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    9.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    6.7993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    7.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    8.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    6.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    7.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    6.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4389    6.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    5.1159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    5.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9410    4.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  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 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 19  1  0  0  0  0
 22 21  2  0  0  0  0
 22 16  1  0  0  0  0
 23 15  1  0  0  0  0
 23 11  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005862-3D
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
    7.2546    0.8795    0.0789 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    1.3994   -1.1503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0628   -2.2363    0.1052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9983    1.0634    0.0418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2034    0.8709    1.4661 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739   -0.3857    0.0574 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7367   -0.5411   -0.3727 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8731    0.4247   -0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3215   -0.2404   -0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3359   -1.5577    0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287   -1.4947    0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2351   -0.0656    0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552    0.2913   -0.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1391    1.7661   -0.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0904   -0.1776   -0.7083 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1582   -2.6454    1.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1422   -0.8645   -0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858    1.0528    0.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9174   -1.4133   -1.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7513    0.6408    0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4999   -0.5454   -0.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0436    1.3720    0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9506    0.5729    0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6943    1.8338    1.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7203   -2.2795    0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4984    1.9647   -1.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1596    1.8855   -1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448    0.4708   -1.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552   -3.2206    0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9117   -2.2662    1.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5281   -3.3440    1.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990   -1.4213    0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8114   -1.7289   -1.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9979    1.6812    1.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9185   -1.1369   -1.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4295   -2.0037   -1.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2060   -1.1646   -1.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3955    2.2409    1.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5912   -3.0080   -0.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1405    2.7503    1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8455    1.2403    1.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 13  2  0  0  0  0
  3 19  1  0  0  0  0
  3 40  1  0  0  0  0
  4 20  1  0  0  0  0
  4 24  1  0  0  0  0
  5 20  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 21  1  0  0  0  0
 17 34  1  0  0  0  0
 18 22  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 1959👍, 0💬