Molecule FYI-1004638

A

Molecule Summary:

ID: FYI-1004638
Names:
InChIKey: DZSPTDOBIRZCFS-IBGZPJMESA-N
SMILES: Cc5cccc(c4nnc(SCc3cc(=O)n2N[C@H](C1CCCCC1)Sc2n3)[n-]4)c5

Received at FYIcenter.com on: 2023-09-16

Molecule ID: FYI-1004638 Edit

Molecule Structure InChIKey: DZSPTDOBIRZCFS-IBGZPJMESA-N

Molecule Structure SMILES String: Cc5cccc(c4nnc(SCc3cc(=O)n2N[C@H](C1CCCCC1)Sc2n3)[n-]4)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004638
FYIcenter.com

 30 34  0  0  1  0  0  0  0  0999 V2000
   17.8559    8.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4635    8.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6407    9.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483    9.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6789    8.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5018    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8941    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9324    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5629    5.5923    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   12.4166    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6955    3.6306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6324    4.6710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5669    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0229    3.9326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
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  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  8  2  0  0  0  0
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 15 14  1  0  0  0  0
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 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
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 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
 23 25  1  6  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
 30 29  1  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004638-3D
FYIcenter.com

 53 57  0  0  1  0  0  0  0  0999 V2000
   -0.4023    2.3945    2.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8838    2.8568    2.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7262   -2.0729   -1.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0111   -2.9696   -2.0880 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0539  -10.5250   -4.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 34  1  0  0  0  0
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  4 35  1  0  0  0  0
  5  6  2  0  0  0  0
  5 36  1  0  0  0  0
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 19 41  1  6  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 30 53  1  0  0  0  0
M  END
$$$$

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2023-09-23, 1102👍, 0💬