Molecule FYI-1008684

A

Molecule Summary:

ID: FYI-1008684
Names:
InChIKey: HHQICTQGROAJOB-LSHDLFTRSA-N
SMILES: Cc3sc(/N=C/c1ccccc1Cl)c(C(=O)NCc2ccco2)c3C

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008684 Edit

Molecule Structure InChIKey: HHQICTQGROAJOB-LSHDLFTRSA-N

Molecule Structure SMILES String: Cc3sc(/N=C/c1ccccc1Cl)c(C(=O)NCc2ccco2)c3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1008684
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.0656    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5531    5.9377    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3890    4.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9398    2.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2308    1.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5624    0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6027    1.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9802    3.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6892    4.6778    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  6  5  2  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008684-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
   -0.6091    2.0681   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2278    0.6220   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4052    0.1783   -0.1187 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626   -1.5059   -0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0453   -2.4547   -0.1586 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2143   -2.2550    0.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3017   -3.2515    0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0118   -4.4474   -0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0083   -5.3961   -0.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3075   -5.1592   -0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6065   -3.9776    0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6076   -3.0242    0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729   -1.5973    1.4970 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3184   -1.7321    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9283   -3.0779    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1400   -3.2582    0.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621   -4.1433    0.1737 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5313   -5.5044    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736   -6.3525    0.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6768   -6.6917    2.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8060   -7.5437    2.2019 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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  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
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 11 33  1  0  0  0  0
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 15 16  2  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
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 24 25  1  0  0  0  0
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 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1329👍, 0💬