Molecule FYI-1001111

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A

Molecule Summary:

ID: FYI-1001111
SMILES: CC1(C2=C(C=C(S2)C3=NC(=NC=C3)NC4=CC=NN4C)C(=O)N1CCN5CCOCC5)C

Received at FYIcenter.com on: 2022-01-07

Molecule ID: FYI-1001111 Edit

Molecule Structure SMILES String: CC1(C2=C(C=C(S2)C3=NC(=NC=C3)NC4=CC=NN4C)C(=O)N1CCN5CCOCC5)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001111
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
    6.9085    0.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5147    5.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7937    4.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6474    3.5621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0061    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4310    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4310    7.0544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2185    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0061    7.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6434    4.9544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8559    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1348    5.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    1.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  7  3  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
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 23  2  1  0  0  0  0
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 29 28  1  0  0  0  0
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 31 30  1  0  0  0  0
 31 26  1  0  0  0  0
 32  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001111-3D
FYIcenter.com

 59 63  0  0  0  0  0  0  0  0999 V2000
    1.0302    0.0504    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5585    0.0707   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1038    1.2391    0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9001    0.8869    1.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3668    1.9960    2.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9073    3.1850    1.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9013    2.8866    0.5772 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1422    4.5659    2.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2497    4.7254    3.7462 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4515    5.9741    4.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5338    7.0369    3.3711 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4279    6.8376    2.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2421    5.6029    1.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5253    6.1533    5.5785 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7857    7.3293    6.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3534    8.5030    5.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3169    9.3838    6.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7914    8.8231    7.9361 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4892    7.5727    7.5340 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8663    6.6705    8.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -0.5432    1.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7267   -1.1624    2.5987 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2022-04-13, 1793👍, 0💬