Molecule FYI-1013237

A

Molecule Summary:

ID: FYI-1013237
Names:
InChIKey: YODARPSQLVPIMA-KEBDBYFISA-N
SMILES: O=C(N/N=C/c1cc(Cl)ccc1O)C34CC2CC(CC(C2)C3)C4

Received at FYIcenter.com on: 2024-11-27

Molecule ID: FYI-1013237 Edit

Molecule Structure InChIKey: YODARPSQLVPIMA-KEBDBYFISA-N

Molecule Structure SMILES String: O=C(N/N=C/c1cc(Cl)ccc1O)C34CC2CC(CC(C2)C3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013237
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    8.4884    5.0048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4274    4.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3664    5.0048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3054    4.3922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2442    5.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 18  1  0  0  0  0
 23 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013237-3D
FYIcenter.com

 44 47  0     0  0  0  0  0  0999 V2000
    5.9561   -2.6616    0.0214 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093   -2.2063   -0.0248 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8085    2.8053   -0.0083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1599   -0.0078   -0.0256 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1433   -0.3695   -0.0166 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183   -0.4394   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1739    0.9907   -1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9752   -1.0167    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1394    1.0255    1.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7484    0.4118   -1.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2919    1.5309   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 23  2  0  0  0  0
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 23 43  1  0  0  0  0
M  END
$$$$

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2024-12-18, 1200👍, 0💬