Molecule FYI-1000231

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Molecule Summary:

ID: FYI-1000231
SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

Received at FYIcenter.com on: 2021-01-22

Molecule ID: FYI-1000231 Edit

Molecule Structure SMILES String: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000231
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    8.8861    2.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6738    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274    3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    4.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8063    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    1.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    1.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    1.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368    3.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    5.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    5.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    3.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
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 15  5  1  0  0  0  0
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 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000231-3D
FYIcenter.com

 61 65  0  0  0  0  0  0  0  0999 V2000
   -1.5324    0.2114   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7196    1.3414    0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7504    1.2693    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3384   -0.0420    0.3428 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5984   -1.1222   -0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7730   -0.0431   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5044   -1.3568    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896   -1.1823    0.0104 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6842   -2.2856    0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4834   -5.4848    0.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7574   -4.7135    2.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  3  4  1  0  0  0  0
  3 39  1  0  0  0  0
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  4  7  1  0  0  0  0
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  6 43  1  0  0  0  0
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 34 61  1  0  0  0  0
M  END
$$$$

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2022-05-05, 359👍, 0💬