Molecule FYI-1015889

A

Molecule Summary:

ID: FYI-1015889
Names:
InChIKey: IOXWMZKCUPYYPA-UHFFFAOYSA-N
SMILES: CCN(CC)CCNC(=O)c3c(C)[nH]c(Cn2c(=O)[nH]c1ccc(F)cc12)c3C

Received at FYIcenter.com on: 2025-10-28

Molecule ID: FYI-1015889 Edit

Molecule Structure InChIKey: IOXWMZKCUPYYPA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)CCNC(=O)c3c(C)[nH]c(Cn2c(=O)[nH]c1ccc(F)cc12)c3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015889
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
   12.7360   10.8245    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1686    9.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5381    9.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9707    7.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0339    6.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6645    7.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645    5.9087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7028    3.2709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9013    4.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1803    5.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6102    3.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2318    8.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 26  2  0  0  0  0
 29  6  2  0  0  0  0
 29  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015889-3D
FYIcenter.com

 57 59  0  0  0  0  0  0  0  0999 V2000
    4.6368   -1.9715    1.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839   -0.4889    1.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066    0.2475    0.3794 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2021   -0.3422   -0.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6885   -0.3232   -1.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9492    2.4416    1.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3959    2.4439    1.7171 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0532    3.0957    2.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4426    3.6855    3.6300 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2556   -0.2238    4.6365 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1407    0.1793    5.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-11-06, 786👍, 0💬