Molecule FYI-1004609

A

Molecule Summary:

ID: FYI-1004609
Names:
InChIKey: DCIFWFPJGDOPRA-UHFFFAOYSA-N
SMILES: Cc5nc4c(F)cc(c3nc(Nc2ccc(CN1CCCC1)cn2)ncc3F)cc4n5C(C)C

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

Molecule ID: FYI-1004609 Edit

Molecule Structure InChIKey: DCIFWFPJGDOPRA-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5nc4c(F)cc(c3nc(Nc2ccc(CN1CCCC1)cn2)ncc3F)cc4n5C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004609
FYIcenter.com

 34 38  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
    4.3002    1.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2550    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0284    1.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0736    2.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.1661    3.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5917    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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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 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 34  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004609-3D
FYIcenter.com

 61 65  0     0  0  0  0  0  0999 V2000
    5.1419    0.2494   -2.5532 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0801   -3.1859    0.8223 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4120    1.4039   -0.4197 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8626    2.7353    0.5288 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3729    2.7400   -1.1020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480   -1.2066   -0.5048 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -3.3737    0.3329 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6697   -2.1661    0.1021 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5563   -1.8979   -0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8002   -0.3398   -0.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3489    2.6040    2.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 61  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 2130👍, 0💬