Molecule FYI-1004929

A

Molecule Summary:

ID: FYI-1004929
Names:
InChIKey: QKRVJLPAJNHQKT-OFNKIYASSA-N
SMILES: COc4cc3C[C@H]([C@@H](O)C2CCN(Cc1ccccc1)CC2)C(=O)c3cc4OC

Received at FYIcenter.com on: 2023-10-01

Molecule ID: FYI-1004929 Edit

Molecule Structure InChIKey: QKRVJLPAJNHQKT-OFNKIYASSA-N

Molecule Structure SMILES String: COc4cc3C[C@H]([C@@H](O)C2CCN(Cc1ccccc1)CC2)C(=O)c3cc4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004929
FYIcenter.com

 29 32  0  0  1  0  0  0  0  0999 V2000
    8.4655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4655    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1288    5.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    5.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125   14.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  2  0  0  0  0
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  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
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 13  5  1  0  0  0  0
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 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 15 29  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004929-3D
FYIcenter.com

 58 61  0     1  0  0  0  0  0999 V2000
    0.6162   -0.5512    1.6782 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272   -2.7935   -0.0705 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5819    2.1020   -0.1818 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2380   -0.5555    0.2794 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-10-11, 1575👍, 0💬