Molecule FYI-1007913

A

Molecule Summary:

ID: FYI-1007913
Names:
InChIKey: ULKXYUIABQCMME-UHFFFAOYSA-N
SMILES: Clc4ccc(CN1CCOCC1)c(Nc3ccnc(Nc2cccc(Cl)c2Cl)n3)c4

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007913 Edit

Molecule Structure InChIKey: ULKXYUIABQCMME-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4ccc(CN1CCOCC1)c(Nc3ccnc(Nc2cccc(Cl)c2Cl)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007913
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6994    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
 29  6  2  0  0  0  0
 29  2  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007913-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   -2.1492   -0.2800   -0.0788 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4326   -0.1640   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1701    1.0841    0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5581    1.1650    0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    0.0034    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8703    0.1905    0.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2291    1.0736    1.4031 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9514    0.5489    2.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    1.7018    3.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4283    2.2870    3.6969 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6266    1.5332    1.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 50  1  0  0  0  0
M  END
$$$$

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2024-04-14, 135👍, 0💬