Molecule FYI-1014052

A

Molecule Summary:

ID: FYI-1014052
Names:
InChIKey: FMETVQKSDIOGPX-UHFFFAOYSA-N
SMILES: Nc1ncnc4c1c(c3ccc(Oc2ccccc2)cc3)cn4C5CCCC5

Received at FYIcenter.com on: 2025-02-24

Molecule ID: FYI-1014052 Edit

Molecule Structure InChIKey: FMETVQKSDIOGPX-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ncnc4c1c(c3ccc(Oc2ccccc2)cc3)cn4C5CCCC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1014052
FYIcenter.com

 28 32  0  0  0  0  0  0  0  0999 V2000
   10.7028    4.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    5.0353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5049    6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5681    7.4072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1986    7.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2618    8.1565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8722    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8090    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    5.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6334    3.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    3.5317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9416    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0880    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 25 24  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
  8 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014052-3D
FYIcenter.com

 50 54  0     0  0  0  0  0  0999 V2000
    4.0903    1.4106    0.9983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4235    0.1893   -0.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1234   -2.1149   -0.2651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2811   -3.6854   -0.0069 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -2.9862    0.3367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7243    0.8265   -0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8195    1.7277   -1.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1193    3.1256   -1.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8941    2.8693    0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1880   -1.1611   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2346   -0.0729    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331    0.3082    0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877   -2.6794    0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6204    0.4809    1.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    0.5064   -0.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9498    0.8514    1.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3066    0.8768   -0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931    1.0492    0.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0608    0.7548    0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000   -0.5552   -1.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7622   -1.0696   -1.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
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  4 16  1  0  0  0  0
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  6 29  1  0  0  0  0
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  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
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 26 48  1  0  0  0  0
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 28 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 1436👍, 0💬