Molecule FYI-1016077

A

Molecule Summary:

ID: FYI-1016077
Names:
InChIKey: WWIFDJIOGCGSBS-IVKCLRODSA-N
SMILES: Cl.Cl.COc3ccc(/C=C/c2nc(NCCCN(C)C)c1ccccc1n2)cc3

Received at FYIcenter.com on: 2025-11-12

Molecule ID: FYI-1016077 Edit

Molecule Structure InChIKey: WWIFDJIOGCGSBS-IVKCLRODSA-N

Molecule Structure SMILES String: Cl.Cl.COc3ccc(/C=C/c2nc(NCCCN(C)C)c1ccccc1n2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016077
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.6672    5.0127    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1134    7.8396    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2878    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1877    1.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7089    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6089    3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1299    4.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7512    5.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8513    3.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3302    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2724    6.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1723    7.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6935    8.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5934    9.7953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1145   11.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0144   12.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5356   13.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1569   13.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2570   12.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7358   11.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8358   10.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3148    8.9659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4571   10.5246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5572    9.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1784    9.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2787    8.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8998    8.8658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210   10.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 13  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016077-3D
FYIcenter.com

 57 57  0  0  0  0  0  0  0  0999 V2000
    2.1906   -3.1819    0.8520 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    2.8382    1.3201 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5954   -0.1080   -1.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6710   -0.5480   -0.2644 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0235   -0.1537    0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1313    0.4623    1.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5760    0.9161    3.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9235    0.7629    3.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4706    1.3024    4.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8063    2.1559    5.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4461    2.7456    6.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7822    4.0656    6.8165 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4297    4.6571    7.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7943    6.0393    7.7839 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1680    6.9793    6.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1981    7.6343    5.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8102    6.6283    4.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7881    5.9350    4.1448 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0266    6.8595    3.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4396    4.9102    3.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7024    3.8891    9.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3342    4.4118   10.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5001    3.6191   11.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0394    2.3042   11.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    1.7604   10.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6897    1.9951    7.9269 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7937    0.0923    2.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3475   -0.3562    1.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4559   -2.1080    1.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3519    2.8006    0.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9351   -0.9590   -1.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    0.3349   -1.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016    0.6777   -0.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3820    7.5223    3.9042 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3296    6.2974    2.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8351   -0.0565    2.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0407   -0.8453    0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  2  0  0  0  0
  6  7  2  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  2  0  0  0  0
  9 10  2  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  2  0  0  0  0
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 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
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 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END
$$$$

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2026-04-13, 339👍, 0💬