Molecule FYI-1002619

A

Molecule Summary:

ID: FYI-1002619
Names:
InChIKey: GUWSXPOJHALCHG-UHFFFAOYSA-N
SMILES: COc4cc3ncc2ncn(Cc1ccc(CP(=O)(O)O)cc1)c2c3cc4OC

Received at FYIcenter.com on: 2023-04-13

Molecule ID: FYI-1002619 Edit

Molecule Structure InChIKey: GUWSXPOJHALCHG-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cc3ncc2ncn(Cc1ccc(CP(=O)(O)O)cc1)c2c3cc4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1002619
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.5157   11.3416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9157   13.7664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281   11.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281   10.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    9.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    8.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4281    7.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3124    2.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  8  1  0  0  0  0
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 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
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 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 29 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002619-3D
FYIcenter.com

 49 52  0     0  0  0  0  0  0999 V2000
   -5.8248   -0.3850    0.9746 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -3.0049   -1.2598 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0359   -3.2877    0.5220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8572   -1.4902    1.5241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3422   -0.0733   -0.5169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5908    0.7929    1.8514 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8041    2.2573   -0.9727 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6401    3.9665    0.1737 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9025    1.3640    1.5296 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.7264   -0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3397    0.4295   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198    2.8144    0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4096    0.3128    0.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    3.5965   -0.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3789    2.6071    1.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
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 20 35  1  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-04-17, 287👍, 0💬