Molecule FYI-1002590

A

Molecule Summary:

ID: FYI-1002590
Names:
InChIKey: OZUCOMVUVKRLHY-UHFFFAOYSA-N
SMILES: c6ccc(c2nc1ccccc1n2Cc5nc4c3CCCc3ncn4n5)nc6

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

Molecule ID: FYI-1002590 Edit

Molecule Structure InChIKey: OZUCOMVUVKRLHY-UHFFFAOYSA-N

Molecule Structure SMILES String: c6ccc(c2nc1ccccc1n2Cc5nc4c3CCCc3ncn4n5)nc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002590
FYIcenter.com

 28 33  0  0  0  0  0  0  0  0999 V2000
    9.2679    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8985    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4659    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4027    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7721    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2047    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4721    3.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5353    4.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2564    4.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0439    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8315    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3157    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0770    8.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    6.9309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  5  4  1  0  0  0  0
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  6  1  1  0  0  0  0
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  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 20 15  1  0  0  0  0
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 22 14  1  0  0  0  0
 23  8  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 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-1002590-3D
FYIcenter.com

 45 50  0     0  0  0  0  0  0999 V2000
    2.3438   -1.0028    0.8997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167    0.4440    0.6661 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -1.4322    0.2861 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0978    0.7657    0.5728 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1841   -1.3464    1.4743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2202    0.5347   -1.0551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2463   -2.2102   -0.6113 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8245    1.9681   -0.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4778    0.6885   -0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1193    1.6120   -1.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7129    0.4073   -0.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183   -0.1678   -0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9287   -0.1195    1.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4623   -0.2428    1.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4533   -1.8324    0.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6472    2.9224    1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4757   -1.6983   -0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4431    3.0454   -1.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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  2 14  1  0  0  0  0
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  3 12  1  0  0  0  0
  3 16  2  0  0  0  0
  4 13  2  0  0  0  0
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  5 15  2  0  0  0  0
  6 18  2  0  0  0  0
  6 19  1  0  0  0  0
  7 21  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
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  9 12  2  0  0  0  0
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 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
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 21 25  2  0  0  0  0
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 28 45  1  0  0  0  0
M  END
$$$$

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2023-04-17, 2429👍, 0💬