Molecule FYI-1005998

A

Molecule Summary:

ID: FYI-1005998
Names:
InChIKey: HSVDEPRFXVRJIG-DJNXLDHESA-N
SMILES: Cc3c(C(=O)Nc2c(C)n(C)n(C1CCC1)c2=O)noc3C4CCC[C@@H](C(C)(C)C)O4

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1005998 Edit

Molecule Structure InChIKey: HSVDEPRFXVRJIG-DJNXLDHESA-N

Molecule Structure SMILES String: Cc3c(C(=O)Nc2c(C)n(C)n(C1CCC1)c2=O)noc3C4CCC[C@@H](C(C)(C)C)O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005998
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
    6.3514    7.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917    6.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    5.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5243    4.9017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4612    5.9420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7612    7.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3305    8.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7228    8.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2922    9.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4694   10.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0770   10.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5076    9.5660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   11.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1215   11.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4313   13.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3923    4.3001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7176    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0247    0.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    3.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    2.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 11 13  1  6  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  1  0  0  0  0
 30 20  1  0  0  0  0
 31 30  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005998-3D
FYIcenter.com

 65 68  0     1  0  0  0  0  0999 V2000
   -4.8101    0.6182    0.7120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193   -1.8397    0.8017 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4178    0.8343    1.3796 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1360    1.0381    0.6390 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1157   -0.0809    0.0295 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1055   -1.0670   -0.9506 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.6922   -1.1568    0.0986 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9584   -1.8108    0.5222 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2981    0.7325    0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7378    1.5930   -0.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0307    2.0615    1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 29  2  0  0  0  0
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  9 11  1  0  0  0  0
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 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
M  END
$$$$

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2023-12-01, 392👍, 0💬