Molecule FYI-1010745

A

Molecule Summary:

ID: FYI-1010745
Names:
InChIKey: UWPFUBNCDABUEE-ZHACJKMWSA-N
SMILES: CC(F)(F)c3ncc(C(=O)NC(/C=C/S(C)(=O)=O)C1CC1)c(Oc2ccccc2)n3

Received at FYIcenter.com on: 2024-07-11

Molecule ID: FYI-1010745 Edit

Molecule Structure InChIKey: UWPFUBNCDABUEE-ZHACJKMWSA-N

Molecule Structure SMILES String: CC(F)(F)c3ncc(C(=O)NC(/C=C/S(C)(=O)=O)C1CC1)c(Oc2ccccc2)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010745
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.7489    4.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    4.9169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    6.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7489    7.0168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9612    6.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 26  1  0  0  0  0
  3 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010745-3D
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
    0.9643    0.0735    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4803   -0.0346    0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8826    0.0520   -1.2108 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9752    1.0962    0.6905 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9563   -1.3234    0.7642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772   -1.2489    1.8302 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2902   -2.4121    2.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9926   -3.6620    1.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8398   -5.8336    1.4582 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4319   -5.7761    3.8170 C   0  0  3  0  0  0  0  0  0  0  0  0
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    9.7745   -3.3426    4.2098 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6393   -6.7132    6.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0450   -3.6465    0.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-25, 226👍, 0💬