Molecule FYI-1001911

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Molecule Summary:

ID: FYI-1001911
SMILES: O=C(O)C[C@H](C)CCCOC1=CC=CC=C1CN2C(C)=CN=C2C3=CC=C(C(F)(F)F)C=C3

Received at FYIcenter.com on: 2022-12-29

Molecule ID: FYI-1001911 Edit

Molecule Structure SMILES String: O=C(O)C[C@H](C)CCCOC1=CC=CC=C1CN2C(C)=CN=C2C3=CC=C(C(F)(F)F)C=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001911
FYIcenter.com

 33 35  0  0  1  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 O   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
    3.6373    0.0000    0.0000 O   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
    3.6373    2.8000    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
    3.6373    4.2000    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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   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
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961   10.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557   11.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655   10.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    9.5709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    8.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4198    7.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7512    6.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0423    5.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0020    4.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2931    3.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9236    2.7618    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5841    1.6835    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6624    3.3440    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6705    4.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3794    6.2244    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  1  0  0  0  0
  5  6  1  6  0  0  0
  7  5  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  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 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  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 26  2  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
 32 27  1  0  0  0  0
 33 32  2  0  0  0  0
 33 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001911-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
    6.2213    1.9547   -5.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9659    3.1197   -4.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5675    4.1463   -5.5176 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9311    3.5775   -3.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7426    2.5956   -2.6964 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6078    3.0791   -1.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0287    2.3531   -1.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5802    3.5938   -1.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8768    3.2643   -0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8746    2.8824   -1.3845 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6603    3.8637   -1.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5282    5.2290   -1.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4712    6.1459   -2.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5567    5.7091   -2.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6683    4.3622   -3.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7161    3.4255   -2.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8877    1.9821   -3.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7580    1.1274   -2.3179 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4467    1.4103   -1.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5194    2.6783   -0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0839    0.2326   -0.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8038   -0.7535   -1.7164 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0172   -0.2206   -2.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4978   -0.9959   -3.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1629   -2.3541   -3.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6837   -3.1238   -4.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5180   -2.5578   -5.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0190   -3.3459   -7.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7639   -4.6580   -6.8640 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8601   -2.8417   -7.6551 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077   -3.3484   -8.1764 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667   -1.2134   -6.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3791   -0.4655   -5.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2672    5.0305   -5.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9869    3.6897   -4.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2047    4.5658   -3.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4401    1.6243   -3.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8187    4.0683   -1.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4528    2.3829   -0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6697    3.1532   -2.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7970    1.9322   -2.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8274    1.5784   -1.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8565    3.9826   -0.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7700    4.3781   -1.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7132    2.4098    0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1990    4.0805    0.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7141    5.6238   -1.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3725    7.1977   -1.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3179    6.4144   -3.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5291    4.0310   -3.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3518    2.0142   -4.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9240    1.4714   -3.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7592    3.4126   -0.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4919    3.1567   -0.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.4778    0.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7310    0.0552    0.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2922   -2.8223   -2.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4462   -4.1762   -4.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7585   -0.7438   -7.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7182    0.5376   -5.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5 37  1  6  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
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 15 50  1  0  0  0  0
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 17 52  1  0  0  0  0
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 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 55  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 33  1  0  0  0  0
 25 26  1  0  0  0  0
 25 57  1  0  0  0  0
 26 27  2  0  0  0  0
 26 58  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 59  1  0  0  0  0
 33 60  1  0  0  0  0
M  END
$$$$

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2023-01-08, 4234👍, 0💬