Molecule FYI-1004584

A

Molecule Summary:

ID: FYI-1004584
Names:
InChIKey: KLYIFYOVNVTEMX-UHFFFAOYSA-N
SMILES: CCN5CCN(Cc4ccc(Nc3ncc(F)c(c2cc(F)n1cnnc1c2)n3)nc4)CC5

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004584 Edit

Molecule Structure InChIKey: KLYIFYOVNVTEMX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN5CCN(Cc4ccc(Nc3ncc(F)c(c2cc(F)n1cnnc1c2)n3)nc4)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004584
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31  8  1  0  0  0  0
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 33 32  1  0  0  0  0
 33  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004584-3D
FYIcenter.com

 56 60  0  0  0  0  0  0  0  0999 V2000
    3.1556    8.3061    0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759    7.5131    1.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1128    6.3840    2.2235 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4054    5.7994    2.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0932    4.9590    1.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2818    3.8112    1.0951 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252    2.7823    2.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4205    2.1552    2.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9566    1.0647    1.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7694   -2.5791    4.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0309   -3.5611    4.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2417   -6.4306    3.8404 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-23, 1185👍, 0💬