Molecule FYI-1013756

A

Molecule Summary:

ID: FYI-1013756
Names:
InChIKey: YHHBKAWTZXNSIS-WRXXGNJUSA-N
SMILES: Cc4ccc(n2c(=O)c(=Cc1ccc(F)cc1)sc2=C(C#N)C(=O)N3CCOCC3)c(C)c4

Received at FYIcenter.com on: 2025-01-23

Molecule ID: FYI-1013756 Edit

Molecule Structure InChIKey: YHHBKAWTZXNSIS-WRXXGNJUSA-N

Molecule Structure SMILES String: Cc4ccc(n2c(=O)c(=Cc1ccc(F)cc1)sc2=C(C#N)C(=O)N3CCOCC3)c(C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013756
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
   10.2099    8.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2482    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8558    6.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    7.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    8.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013756-3D
FYIcenter.com

 55 58  0     0  0  0  0  0  0999 V2000
   -0.4501    1.9209    0.6979 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5568    0.7918   -0.4615 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7870    3.3002   -1.8813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2206    1.4872    2.4393 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3715   -0.5451   -0.0945 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0325   -0.6235    0.3165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1047   -2.4602    1.1099 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-02-16, 875👍, 0💬