Molecule FYI-1013232

A

Molecule Summary:

ID: FYI-1013232
Names:
InChIKey: UMLCUPRNQABCJW-KEBDBYFISA-N
SMILES: O=C(N/N=C/c1cc(Br)ccc1O)C34CC2CC(CC(C2)C3)C4

Received at FYIcenter.com on: 2024-11-26

Molecule ID: FYI-1013232 Edit

Molecule Structure InChIKey: UMLCUPRNQABCJW-KEBDBYFISA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1013232
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
    3.1832    4.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1222    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-1013232-3D
FYIcenter.com

 44 47  0     0  0  0  0  0  0999 V2000
    6.0261   -2.7912    0.0167 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9047   -2.2026   -0.0234 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7962    2.8249   -0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1627   -0.0017   -0.0253 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1418   -0.3590   -0.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5196   -0.4411   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1799    0.9827   -1.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9745   -1.0265    0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1457    1.0191    1.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7524    0.4086   -1.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1575   -0.1400    1.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4219    0.4552   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2836    1.5521   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 44  1  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, 936👍, 0💬