Molecule FYI-1002576

A

Molecule Summary:

ID: FYI-1002576
Names:
InChIKey: CMKRJYIQUHSGDQ-UHFFFAOYSA-N
SMILES: O=c2c1ccccc1c6c2c(c3cccnc3)nc5ccc4ccccc4c56

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002576 Edit

Molecule Structure InChIKey: CMKRJYIQUHSGDQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c1ccccc1c6c2c(c3cccnc3)nc5ccc4ccccc4c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1002576
FYIcenter.com

 28 33  0  0  0  0  0  0  0  0999 V2000
   10.9553    6.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5226    4.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1532    4.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    5.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6491    6.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0184    7.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7123    7.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3428    7.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9102    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8470    5.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    3.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3062    3.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1144    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9165    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6102    0.2911    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  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
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 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002576-3D
FYIcenter.com

 42 47  0     0  0  0  0  0  0999 V2000
   -2.7110    2.0035    0.4119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9124   -1.9239   -0.2807 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0241   -1.3536    1.3370 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    0.4942   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090   -0.6975   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9644    0.3933    0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7438    1.9271   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4272    2.6779    0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4383   -1.8734   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6431   -0.8529    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5443    1.7329    0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6081   -0.8012   -0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2581   -2.0921   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8767    2.6219   -0.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0846   -3.0673   -0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4932    4.0591    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4701   -3.1742   -0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0389   -0.9630    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4962    0.1230    0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8501    4.0249   -0.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6494   -2.2643   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798    4.7377   -0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8775   -0.0566    0.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
  2 12  2  0  0  0  0
  3 26  1  0  0  0  0
  3 28  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8 11  1  0  0  0  0
  8 16  2  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  2  0  0  0  0
 12 18  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  2  0  0  0  0
 14 20  1  0  0  0  0
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 15 30  1  0  0  0  0
 16 22  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  2  0  0  0  0
 19 23  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  2  0  0  0  0
 20 34  1  0  0  0  0
 21 24  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 27  2  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 27 28  1  0  0  0  0
 27 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 2067👍, 0💬