Molecule FYI-1007278

A

Molecule Summary:

ID: FYI-1007278
Names:
InChIKey: ITCQJTUPXAHBHJ-UHFFFAOYSA-N
SMILES: CCSCCS(=O)(=O)N6CC5(CN(C(=O)CCCNC(=O)CCn4cnc3c(c2ccc1cc(O)ccc1c2)cc(N)cc3c4=O)C5)C6

Received at FYIcenter.com on: 2024-02-14

Molecule ID: FYI-1007278 Edit

Molecule Structure InChIKey: ITCQJTUPXAHBHJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCSCCS(=O)(=O)N6CC5(CN(C(=O)CCCNC(=O)CCn4cnc3c(c2ccc1cc(O)ccc1c2)cc(N)cc3c4=O)C5)C6

Download SDF Download SVG Structure in 2D SDF:

FYI-1007278
FYIcenter.com

 88 93  0  0  0  0  0  0  0  0999 V2000
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   22.2359   12.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.2125   13.5687    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-1007278-3D
FYIcenter.com

 88 93  0  0  0  0  0  0  0  0999 V2000
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    7.6596   11.6856    4.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   12.1237    2.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7146   11.3408    4.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6068   10.8876    5.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1949   13.5278    3.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1039   18.5494    8.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4846   20.2625    7.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4135   21.3383    5.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1581   22.1477    3.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2373   19.8938    1.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8262   18.1658    2.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8924   17.1672    4.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9859   17.9373    8.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3822   17.3350   10.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6490   15.8129   10.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0900    2.0081    3.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9071   -0.6292    3.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
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 48 88  1  0  0  0  0
M  END
$$$$

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2024-04-14, 169👍, 0💬