Molecule FYI-1009336

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A

Molecule Summary:

ID: FYI-1009336
Names:
InChIKey: NXUCDKMKMGBAGI-UHFFFAOYSA-N
SMILES: CC3C=CC2CCN(C1C=CC(CCO)=CN1)CC2C3F

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009336 Edit

Molecule Structure InChIKey: NXUCDKMKMGBAGI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC3C=CC2CCN(C1C=CC(CCO)=CN1)CC2C3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1009336
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   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
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 F   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
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 N   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  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  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
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  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 16  2  0  0  0  0
 21 20  1  0  0  0  0
 21 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009336-3D
FYIcenter.com

 46 48  0  0  1  0  0  0  0  0999 V2000
    1.1757   -0.7186    1.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0845    0.1506    0.9168 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8409   -0.5882   -0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8370    0.1298   -0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4481    1.5175   -1.3025 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6945    2.3491   -1.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4076    3.8525   -1.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287    4.4153   -0.6779 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.3678    4.3828    0.6164 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5637    5.3178    0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6185    6.4527    1.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4761    6.8486    2.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3184    8.2942    2.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0321    9.1415    1.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    8.7369    0.5819 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5715    5.9061    2.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6460    4.6387    1.8764 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3309    3.6882   -0.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    2.2437   -0.2258 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4225    1.4003    0.2711 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6139    1.0493   -0.7621 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7608   -1.5371    2.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3540   -1.1575    1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7602   -0.1416    2.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8352    0.5094    1.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044   -1.0041   -0.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7076    0.2536   -0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8499    1.3804   -2.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1022    1.9873   -2.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917    2.1998   -0.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8607    4.0403   -2.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3527    4.3976   -1.9212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    3.3964    0.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4321    4.9918    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5120    7.0702    1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2253    8.6536    2.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906    8.4125    3.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8470    9.0889    0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9124   10.1877    1.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9628    7.8162    0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6997    6.0950    3.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8175    4.0766    2.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8164    3.7442   -1.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6611    4.1819    0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2114    2.2929    0.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.9494    0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  3  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1156👍, 0💬