Molecule FYI-1013730

A

Molecule Summary:

ID: FYI-1013730
Names:
InChIKey: MOYHMAFKAKPLLB-UHFFFAOYSA-N
SMILES: Cc1cccnc1c3cc(S(C)(=O)=O)nc4c(CC2CCC2)cnn34

Received at FYIcenter.com on: 2025-01-23

Molecule ID: FYI-1013730 Edit

Molecule Structure InChIKey: MOYHMAFKAKPLLB-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cccnc1c3cc(S(C)(=O)=O)nc4c(CC2CCC2)cnn34

Download SDF Download SVG Structure in 2D SDF:

FYI-1013730
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.8593    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2288    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1656    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5351    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9677    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309    2.6630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6614    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7247    3.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1573    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2205    5.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8511    5.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6552    1.9088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6531    7.1157    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3216    7.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9845    6.6829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  2  0  0  0  0
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 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
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 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
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 22 10  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 25 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013730-3D
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
   -1.9252   -1.8264    1.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705   -0.7927    0.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305    0.5245    0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7334    1.4877   -0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5133    1.1080   -0.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9993   -0.1453   -0.4855 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1949   -1.0837    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8068   -2.4132    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096   -2.7070    1.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3092   -4.0255    1.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5021   -4.3812    2.4008 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -4.5802    1.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6164   -3.1823    3.2097 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1206   -5.6527    2.9909 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603   -4.9108    0.1514 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3019   -4.5782   -0.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9142   -5.2624   -2.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2646   -6.6399   -2.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4882   -6.6905   -3.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8510   -8.1143   -3.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239   -7.8262   -3.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8779   -6.6272   -2.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0521   -4.3668   -2.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6337   -3.3382   -0.8993 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8092   -2.0285    1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
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 12 35  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
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 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 593👍, 0💬