Molecule FYI-1004759

A

Molecule Summary:

ID: FYI-1004759
Names:
InChIKey: MRXBCEQZNKUUIP-DEOSSOPVSA-N
SMILES: NC4=N[C@@](c2cccc(c1cncnc1)c2)(c3ccnc(C(F)F)c3)c5cccc(F)c45

Received at FYIcenter.com on: 2023-09-23

Molecule ID: FYI-1004759 Edit

Molecule Structure InChIKey: MRXBCEQZNKUUIP-DEOSSOPVSA-N

Molecule Structure SMILES String: NC4=N[C@@](c2cccc(c1cncnc1)c2)(c3ccnc(C(F)F)c3)c5cccc(F)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1004759
FYIcenter.com

 32 36  0  0  1  0  0  0  0  0999 V2000
    5.0717    2.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3284    1.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5112    2.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4374    4.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    4.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1247    3.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1070    6.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2030    7.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6976    8.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5851    9.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9781    9.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5960    6.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0797   10.7630    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.4410    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2073    2.1765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9506    2.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  7  1  0  0  0  0
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 27  3  1  0  0  0  0
 28 27  2  0  0  0  0
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 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004759-3D
FYIcenter.com

 48 52  0     1  0  0  0  0  0999 V2000
    5.4466   -2.1950    0.8780 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1444    5.4018   -0.6857 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2853    3.6143   -1.1380 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3653   -0.9862    1.5641 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062   -2.2199    2.6060 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3923    3.9701    0.9183 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8685   -2.3696    0.3187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3471   -0.2034    1.2366 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1786   -0.2470    0.2491 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5326   -0.4033   -0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8983    1.2549    0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3597   -1.1576    0.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753   -1.4787    1.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0178    0.0877   -1.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2866   -0.8670    0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2217   -1.6710   -1.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6663   -1.4676    0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0818    1.9605   -0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4623    1.9054    1.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3505   -1.5019   -0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3355   -0.2105   -1.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1528   -0.9840   -1.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  1  0  0  0  0
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 31 47  1  0  0  0  0
 32 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-05, 2172👍, 0💬