Molecule FYI-1015666

A

Molecule Summary:

ID: FYI-1015666
Names:
InChIKey: JDTBPMQPWBLWDI-PMVMPFDFSA-N
SMILES: O=C4N[C@@H](COCc1ccccc1)C(=O)N5C[C@@H](NCc3cnn(c2cccc(F)c2)c3)C[C@@H]45

Received at FYIcenter.com on: 2025-09-24

Molecule ID: FYI-1015666 Edit

Molecule Structure InChIKey: JDTBPMQPWBLWDI-PMVMPFDFSA-N

Molecule Structure SMILES String: O=C4N[C@@H](COCc1ccccc1)C(=O)N5C[C@@H](NCc3cnn(c2cccc(F)c2)c3)C[C@@H]45

Download SDF Download SVG Structure in 2D SDF:

FYI-1015666
FYIcenter.com

 34 38  0  0  1  0  0  0  0  0999 V2000
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9539    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3539    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1768    0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  2  0  0  0  0
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 33 23  1  0  0  0  0
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 34 33  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015666-3D
FYIcenter.com

 60 64  0     1  0  0  0  0  0999 V2000
    9.7251   -1.7669   -0.4314 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1662    1.0479    2.0586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8456    2.7319   -2.9568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4507    0.0536    0.3499 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6145    2.2184   -0.1777 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1200    2.0590   -1.1521 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4165    0.1460    0.3729 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-09-24, 690👍, 0💬