Molecule FYI-1006423

A

Molecule Summary:

ID: FYI-1006423
Names:
InChIKey: VZPPTFKEWNQSCG-BHGWPJFGSA-N
SMILES: COc3cc(/C=N/c1sc(C)c(C)c1C(=O)NCc2ccco2)cc(OC)c3OC

Received at FYIcenter.com on: 2023-12-15

Molecule ID: FYI-1006423 Edit

Molecule Structure InChIKey: VZPPTFKEWNQSCG-BHGWPJFGSA-N

Molecule Structure SMILES String: COc3cc(/C=N/c1sc(C)c(C)c1C(=O)NCc2ccco2)cc(OC)c3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006423
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.2451    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2855    0.9367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0348    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7437    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6225    1.8019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7841    5.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5849   10.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5849   11.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4521   12.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8849   13.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2849   13.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7175   12.4685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 30 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006423-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    2.0261   -0.9570    0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8440    0.1986   -0.0317 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1932    0.8990    1.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    0.5861    2.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1731    1.2293    3.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572    0.7637    4.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385   -0.2271    4.9785 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5898   -0.6401    6.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5202    0.4483    7.5766 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.7447    8.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7071   -4.9548    2.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0434   -4.5865    1.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 30 54  1  0  0  0  0
M  END
$$$$

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2024-01-10, 2971👍, 0💬