Molecule FYI-1003423

A

Molecule Summary:

ID: FYI-1003423
Names:
InChIKey: WXCXUHSOUPDCQV-UHFFFAOYSA-N
SMILES: CNC(=O)c3ccc(N2C(=S)N(c1ccc(C#N)c(C(F)(F)F)c1)C(=O)C2(C)C)cc3F

Received at FYIcenter.com on: 2023-06-15

Molecule ID: FYI-1003423 Edit

Molecule Structure InChIKey: WXCXUHSOUPDCQV-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)c3ccc(N2C(=S)N(c1ccc(C#N)c(C(F)(F)F)c1)C(=O)C2(C)C)cc3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1003423
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.1209    2.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    5.8835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5675   10.1264    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1062    8.8804    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8602    7.3417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    2.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 10  9  2  0  0  0  0
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 14  9  1  0  0  0  0
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 23 22  2  0  0  0  0
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 26 23  1  0  0  0  0
 27 26  3  0  0  0  0
 28 22  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  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003423-3D
FYIcenter.com

 48 50  0     0  0  0  0  0  0999 V2000
    0.1657    1.1150    1.4113 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8995   -1.4283    0.5251 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    3.1488   -0.3259 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4054    2.7851    0.8497 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4545    2.5188   -1.3079 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3282   -3.2530   -0.8529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2932    0.5451   -0.4942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1211   -1.0095    0.1636 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1445   -1.1134    0.0966 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4271    2.6213    0.0680 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7793    0.4166    0.0864 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0280   -3.3515    1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4871   -2.9445   -1.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0764   -0.3061    0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4336   -0.4389    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338   -0.7823    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5521   -1.2222    0.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5854    0.8970   -0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9347    0.5465   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906   -1.7880    0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8287   -0.6672    0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-01, 929👍, 0💬