Molecule FYI-1006567

A

Molecule Summary:

ID: FYI-1006567
Names:
InChIKey: ZXRKQYLHNAUKMZ-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(NC(F)CCO)ccc1OCC(O)CNC(C)C

Received at FYIcenter.com on: 2024-01-03

Molecule ID: FYI-1006567 Edit

Molecule Structure InChIKey: ZXRKQYLHNAUKMZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c1cc(NC(F)CCO)ccc1OCC(O)CNC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006567
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    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
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    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
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   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    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 20  2  0  0  0  0
 21 10  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006567-3D
FYIcenter.com

 51 51  0  0  1  0  0  0  0  0999 V2000
    1.2363   -0.8828   -0.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4539   -0.1797   -0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    0.8787   -0.9423 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2786   -0.8470    0.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745   -2.2035    0.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7679   -3.0398    1.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4218   -4.3689    2.0056 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5267   -5.0652    1.0920 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1177   -5.1015   -0.1301 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2699   -6.4945    1.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3418   -7.1827    0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0770   -8.5125    0.9656 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833   -2.4659    2.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1899   -1.1138    2.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798   -0.2784    1.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    1.0119    1.2949 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8796    2.0726    1.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    3.3330    1.9718 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6865    3.0734    3.3609 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7359    3.8512    1.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5566    4.1228   -0.1202 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7672    4.5400   -0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8790    3.4897   -0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5356   -3.0607    2.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
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  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
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  4 15  2  0  0  0  0
  5  6  2  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
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  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 35  1  0  0  0  0
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 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
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 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END
$$$$

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2024-01-15, 3130👍, 0💬