Molecule FYI-1006257

A

Molecule Summary:

ID: FYI-1006257
Names:
InChIKey: MIPSNSQTGQNDEX-UHFFFAOYSA-N
SMILES: COc5ccc4[nH]c2c(CCN3CC1CC(O)OCC1CC23)c4c5

Received at FYIcenter.com on: 2023-12-06

Molecule ID: FYI-1006257 Edit

Molecule Structure InChIKey: MIPSNSQTGQNDEX-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5ccc4[nH]c2c(CCN3CC1CC(O)OCC1CC23)c4c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1006257
FYIcenter.com

 24 28  0  0  0  0  0  0  0  0999 V2000
    9.8137   10.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6011   10.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1763   10.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638   10.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638    8.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    7.8201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4929    6.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7081    5.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    4.1296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3887    8.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22  8  1  0  0  0  0
 22 12  1  0  0  0  0
 23  9  1  0  0  0  0
 23  6  1  0  0  0  0
 24 23  2  0  0  0  0
 24  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006257-3D
FYIcenter.com

 48 52  0  0  1  0  0  0  0  0999 V2000
    1.0682    0.3445    0.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424    0.2141    0.0655 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9955    1.3659   -0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100    2.6347    0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6399    3.7232   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6697    3.4924   -1.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7108    4.2987   -1.4885 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5046    3.5367   -2.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8718    2.3310   -2.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4948    1.3025   -3.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2339    1.9885   -4.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8210    3.3275   -4.3178 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.0382    3.6308   -5.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3703    3.4026   -4.2980 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9404    1.9988   -4.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6789    1.0425   -3.4210 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2231   -0.2343   -3.6980 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3036    1.5896   -2.2722 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5392    2.6753   -1.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3165    3.8391   -2.7904 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9783    4.6194   -2.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8687    3.6625   -2.8922 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8048    2.2403   -1.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9788    1.1738   -1.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5080    2.1222   -5.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0300    2.0958   -4.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
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  3 24  2  0  0  0  0
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  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-14, 239👍, 0💬