Molecule FYI-1006797

A

Molecule Summary:

ID: FYI-1006797
Names:
InChIKey: BPKMKKDJAWRIOB-UHFFFAOYSA-N
SMILES: COC(=O)C12CC5CC(C(C)O)C1N(CCC4(O)C2=Nc3ccccc34)C5

Received at FYIcenter.com on: 2024-01-18

Molecule ID: FYI-1006797 Edit

Molecule Structure InChIKey: BPKMKKDJAWRIOB-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C12CC5CC(C(C)O)C1N(CCC4(O)C2=Nc3ccccc34)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1006797
FYIcenter.com

 27 31  0  0  0  0  0  0  0  0999 V2000
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    0.0000    5.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006797-3D
FYIcenter.com

 53 57  0  0  1  0  0  0  0  0999 V2000
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    6.4429   -3.0832    3.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3307   -2.8905    2.2517 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3427   -4.2366    3.0245 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.1025   -6.3725    3.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1369   -7.1631    1.8932 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6113   -7.5981    0.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6073   -6.3706   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3972   -2.7965   -0.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 32  1  0  0  0  0
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  7 33  1  0  0  0  0
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 27 53  1  0  0  0  0
M  END
$$$$

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2024-01-24, 220👍, 0💬