Molecule FYI-1005996

A

Molecule Summary:

ID: FYI-1005996
Names:
InChIKey: FORDFNXCOFGSRG-FUHWJXTLSA-N
SMILES: Cc3c(C(=O)Nc2c(C)n(C)n(C1CCCCC1)c2=O)noc3[C@H]4C[C@H](C(C)C)CO4

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

Molecule ID: FYI-1005996 Edit

Molecule Structure InChIKey: FORDFNXCOFGSRG-FUHWJXTLSA-N

Molecule Structure SMILES String: Cc3c(C(=O)Nc2c(C)n(C)n(C1CCCCC1)c2=O)noc3[C@H]4C[C@H](C(C)C)CO4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005996
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
   14.1112    3.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4022    4.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7336    5.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3618    5.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5082    7.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292    7.5853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924    6.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9924    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9001    6.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2001    7.9037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8306    7.6126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    4.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    6.2203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5312    3.8370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7847    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    4.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9410    3.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9632    5.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2543    4.2815    0.0000 C   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  2  1  1  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  7  9  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
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 28 16  1  0  0  0  0
 29 28  2  0  0  0  0
 30 12  1  0  0  0  0
 30  9  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005996-3D
FYIcenter.com

 65 68  0     1  0  0  0  0  0999 V2000
   -5.5563    0.9719    1.7167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2683   -0.3563    1.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8474    1.1568    0.2264 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    1.1892   -0.6538 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3177   -0.6497   -0.1229 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1032   -2.0176   -0.2521 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.7691   -0.8993    0.3610 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6062   -0.0344   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4554    1.3099   -1.0478 C   0  0  0  0  0  0  0  0  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
$$$$

✍: FYIcenter.com

2023-12-01, 414👍, 0💬