Molecule FYI-1007800

A

Molecule Summary:

ID: FYI-1007800
Names:
InChIKey: NOOQSQOMUMHXPA-UHFFFAOYSA-N
SMILES: O=[N+](O)c4ccc(N1CCOCC1)c(Nc3ccnc(Nc2ccccc2F)n3)c4

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007800 Edit

Molecule Structure InChIKey: NOOQSQOMUMHXPA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4ccc(N1CCOCC1)c(Nc3ccnc(Nc2ccccc2F)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007800
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
 28 18  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007800-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.2653    0.5631   -0.3285 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2813   -0.0288   -0.0243 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7438    0.1020    1.2637 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9776   -0.8437   -0.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5157   -0.9334   -2.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1913   -1.7432   -3.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3418   -2.4872   -2.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -3.2999   -3.8285 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069   -3.0413   -5.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0814   -2.9159   -1.1422 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7980   -4.0534    1.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8035   -4.6453    2.5572 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879   -4.6118    1.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5464   -5.1894    2.7244 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1657   -4.9192    2.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4994   -1.4493    0.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 14  2  0  0  0  0
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 30 50  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1451👍, 0💬