Molecule FYI-1012584

A

Molecule Summary:

ID: FYI-1012584
Names:
InChIKey: ZGTLDFBXWOAFHZ-IPMKNSEASA-N
SMILES: COc4ccc3C[C@@H]1N(C)CC[C@]2(CCCC[C@]12C)c3c4

Received at FYIcenter.com on: 2024-09-23

Molecule ID: FYI-1012584 Edit

Molecule Structure InChIKey: ZGTLDFBXWOAFHZ-IPMKNSEASA-N

Molecule Structure SMILES String: COc4ccc3C[C@@H]1N(C)CC[C@]2(CCCC[C@]12C)c3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1012584
FYIcenter.com

 21 24  0  0  1  0  0  0  0  0999 V2000
    9.8479    2.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6661    2.7291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4843    2.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3026    2.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1208    2.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1208    0.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9391    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7574    0.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1151    1.6135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832    3.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3634    3.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9391    2.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9391    4.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7574    4.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5757    4.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6513    2.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7574    2.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6977    1.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3026    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4843    0.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  6  0  0  0
 13  5  1  0  0  0  0
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 18  8  1  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  6  0  0  0
 20  6  1  0  0  0  0
 21 20  2  0  0  0  0
 21  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012584-3D
FYIcenter.com

 48 51  0  0  1  0  0  0  0  0999 V2000
    3.5804   -1.9268    0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751   -0.5611    0.6590 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700    0.2062   -0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6753   -0.1759   -1.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0225    0.7502   -2.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4541    2.0201   -2.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8017    3.0576   -3.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4990    4.4996   -2.9390 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1983    4.9038   -1.6662 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6005    4.4999   -1.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5085    4.6818   -0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9604    4.3947   -0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5996    3.6381   -1.6406 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2385    2.8997   -1.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    3.1081   -2.9996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8785    3.7969   -4.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9620    4.7201   -2.7610 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8395    6.2772   -2.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4932    2.3607   -1.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2440    1.4714   -0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8588   -2.4123    1.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5775   -2.0765    1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4536    1.8274   -2.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5118    1.7427    0.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  2  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 29  1  6  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 30  1  0  0  0  0
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 13 20  1  6  0  0  0
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 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
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 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 21 48  1  0  0  0  0
M  END
$$$$

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2024-10-14, 1212👍, 0💬