Molecule FYI-1004608

A

Molecule Summary:

ID: FYI-1004608
Names:
InChIKey: IGRXJJDSMNLZAP-UHFFFAOYSA-N
SMILES: CCc1nccn1Cc5ccc(Nc4ncc(F)c(c3cc(F)c2nc(C)n(C(C)C)c2c3)n4)nc5

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

Molecule ID: FYI-1004608 Edit

Molecule Structure InChIKey: IGRXJJDSMNLZAP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1nccn1Cc5ccc(Nc4ncc(F)c(c3cc(F)c2nc(C)n(C(C)C)c2c3)n4)nc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004608
FYIcenter.com

 36 40  0  0  0  0  0  0  0  0999 V2000
    2.9361    0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2550    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6191    0.3149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0284    1.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7095    2.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3926    1.9687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8019    3.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1660    3.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
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 35 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004608-3D
FYIcenter.com

 62 66  0  0  0  0  0  0  0  0999 V2000
   -0.2873    5.7673    6.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3645    4.4355    6.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6629    4.3319    8.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240    4.8082    9.2109 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5324    4.5658    9.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7176    3.1221    6.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 1720👍, 0💬