Molecule FYI-1002506

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A

Molecule Summary:

ID: FYI-1002506
Names:
InChIKey: VUWDGUFRZHAEHB-UHFFFAOYSA-N
SMILES: Cc2[nH]nc(c1ccc(F)cc1)c2c3ccncc3

Received at FYIcenter.com on: 2023-04-05

Molecule ID: FYI-1002506 Edit

Molecule Structure InChIKey: VUWDGUFRZHAEHB-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2[nH]nc(c1ccc(F)cc1)c2c3ccncc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002506
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.8404    7.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    8.4320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1404    9.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0078    8.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4404    7.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9369    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7244    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6763    8.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
  1  8  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
  5 14  1  0  0  0  0
 11 18  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002506-3D
FYIcenter.com

 31 33  0     0  0  0  0  0  0999 V2000
   -4.9253   -1.3619    0.1219 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    3.0555    0.0502 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1009    2.7529    0.0847 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392   -3.1329   -0.1743 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1918    0.8722   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045    1.4178    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0246    1.9644   -0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -0.4851   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3487    0.7010    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919    2.0997   -0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173   -0.2012    1.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2885    0.9065   -0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2678   -1.3083   -1.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4754   -0.9843    0.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8255   -0.8979    1.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4968    0.2098   -0.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7651   -0.6926    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7355   -2.6126   -1.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8891   -2.3030    0.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4732    4.0324    0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9320    1.3833   -0.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    3.1016   -0.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241    1.9223    0.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9013   -0.3714    1.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0959    1.6025   -1.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6284   -0.9574   -1.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7907   -0.3801    1.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0356   -1.5994    1.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2283    0.3685   -1.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4678   -3.2947   -1.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5323   -2.7410    1.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 20  1  0  0  0  0
  3  6  2  0  0  0  0
  4 18  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  1  0  0  0  0
 11 24  1  0  0  0  0
 12 16  2  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 14 19  2  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$

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2023-04-26, 2689👍, 0💬