Molecule FYI-1005527

A

Molecule Summary:

ID: FYI-1005527
Names:
InChIKey: HXUYKEGAEIYPKY-UHFFFAOYSA-N
SMILES: Cc4ccc(NCCN(C)CCNc1ccnc2cc(Cl)ccc12)c5c(=O)c3ccccc3sc45

Received at FYIcenter.com on: 2023-11-02

Molecule ID: FYI-1005527 Edit

Molecule Structure InChIKey: HXUYKEGAEIYPKY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(NCCN(C)CCNc1ccnc2cc(Cl)ccc12)c5c(=O)c3ccccc3sc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005527
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
   12.1244    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
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 14 12  2  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
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 35 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005527-3D
FYIcenter.com

 62 66  0     1  0  0  0  0  0999 V2000
    3.0031   -3.1363    1.4576 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5952   -0.3345   -1.2564 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.6103   -0.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5772    2.4049    0.0834 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3288    1.5874   -1.4911 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8683    0.2012    1.7905 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9153   -3.5669    0.2858 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4986    2.6313   -1.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9159   -0.2542   -1.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208   -1.1995   -2.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6972   -0.2650   -2.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    1.7118    0.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2236   -1.2061   -3.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435    0.8412    0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5243   -1.0476    1.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 32  1  0  0  0  0
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  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
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 33 35  2  0  0  0  0
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 34 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 2613👍, 0💬