Molecule FYI-1002526

A

Molecule Summary:

ID: FYI-1002526
Names:
InChIKey: WPBDFTNXGWBHOT-GCJKJVERSA-P
SMILES: CCc5nc(NC[C@@H](c1ccc(OC)cc1)[N@@H+]2CC[N@@H+](C)CC2)c4c3CC[C@@H](C)Cc3sc4n5

Received at FYIcenter.com on: 2023-04-07

Molecule ID: FYI-1002526 Edit

Molecule Structure InChIKey: WPBDFTNXGWBHOT-GCJKJVERSA-P

Molecule Structure SMILES String: CCc5nc(NC[C@@H](c1ccc(OC)cc1)[N@@H+]2CC[N@@H+](C)CC2)c4c3CC[C@@H](C)Cc3sc4n5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002526
FYIcenter.com

 34 38  0  0  1  0  0  0  0  0999 V2000
    9.4084    2.2653    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.4346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.4346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    7.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 16  1  1  0  0  0
 17  9  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
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 22 21  1  0  0  0  0
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 24 23  2  0  0  0  0
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 25  6  2  0  0  0  0
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 31 30  1  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  6  0  0  0
 33  4  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002526-3D
FYIcenter.com

 73 77  0  0  1  0  0  0  0  0999 V2000
   -0.4622   -1.2107   -1.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7603   -0.3182   -1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1861   -0.3485   -3.2371 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-13, 2382👍, 0💬