Molecule FYI-1015436

A

Molecule Summary:

ID: FYI-1015436
Names:
InChIKey: ZDTKAZRHRFTPJV-XBXARRHUSA-N
SMILES: Cc2c(C(=O)/C=C/c1ccc(Br)cc1F)nnn2c4ccc3c(cnn3C)c4

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015436 Edit

Molecule Structure InChIKey: ZDTKAZRHRFTPJV-XBXARRHUSA-N

Molecule Structure SMILES String: Cc2c(C(=O)/C=C/c1ccc(Br)cc1F)nnn2c4ccc3c(cnn3C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015436
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.0571    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5632    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2721    2.0693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2089    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9180    0.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  2  0  0  0  0
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  7  6  2  0  0  0  0
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 11 10  2  0  0  0  0
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 15 14  1  0  0  0  0
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 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
 28 23  2  0  0  0  0
 28 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015436-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.4817    0.0491    0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338    0.1488    0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9575   -0.8004    0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8802   -2.2511    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8347   -2.8796    0.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2216   -2.9035    0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4232   -4.2176   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7985   -4.7350    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3676   -5.1104    1.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7045   -5.5208    1.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4779   -5.5555    0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2867   -6.0981    0.2222 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.9293   -5.1849   -1.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5972   -4.7775   -1.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0927   -4.4001   -2.3341 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1563   -0.1384    0.4760 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9281    1.1585    0.5493 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5925    1.3471    0.6026 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543    2.6440    0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6965    3.7493    0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1115    5.0243    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8767    5.1472    0.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    4.0712    1.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 12  1  0  0  0  0
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 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
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 24 25  2  0  0  0  0
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 26 27  1  0  0  0  0
 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 794👍, 0💬