Molecule FYI-1007571

A

Molecule Summary:

ID: FYI-1007571
Names:
InChIKey: HIMUHMBGRATXMK-LBPRGKRZSA-N
SMILES: C=CC(=O)N4CC[C@H](Oc2nc(c1n[nH]c(=O)[nH]1)cc3ccccc23)C4

Received at FYIcenter.com on: 2024-03-04

Molecule ID: FYI-1007571 Edit

Molecule Structure InChIKey: HIMUHMBGRATXMK-LBPRGKRZSA-N

Molecule Structure SMILES String: C=CC(=O)N4CC[C@H](Oc2nc(c1n[nH]c(=O)[nH]1)cc3ccccc23)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007571
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
    6.7313   12.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5189   11.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8151   11.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8782   10.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782    9.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9477   10.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 20  2  0  0  0  0
 26  8  1  0  0  0  0
 26  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007571-3D
FYIcenter.com

 43 46  0     1  0  0  0  0  0999 V2000
    1.1605    0.4468   -0.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7962   -1.4180   -1.2245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1339   -2.7930    0.1321 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8061   -1.0858   -0.0912 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0077   -0.3189   -0.0144 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7536   -2.4932    0.0631 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5196   -1.1143    0.0694 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8637   -3.2710    0.0984 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5591   -0.7546    0.5749 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.0039   -0.6136    1.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9606   -1.6827   -1.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1770   -1.0067   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    0.7465   -0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    2.0776   -0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8641    1.2317   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3009    3.1572   -0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4477    3.6473   -0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2080   -1.2046    0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2204   -1.2723    1.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  2 13  2  0  0  0  0
  3 26  2  0  0  0  0
  4 11  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
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  7 22  2  0  0  0  0
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  8 26  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
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 23 38  1  0  0  0  0
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 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-17, 174👍, 0💬