Molecule FYI-1006447

A

Molecule Summary:

ID: FYI-1006447
Names:
InChIKey: SPMVMDHWKHCIDT-UHFFFAOYSA-N
SMILES: COc4cc3nccc(Oc2ccc(NC(=O)Nc1cc(C)on1)c(Cl)c2)c3cc4OC

Received at FYIcenter.com on: 2023-12-21

Molecule ID: FYI-1006447 Edit

Molecule Structure InChIKey: SPMVMDHWKHCIDT-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cc3nccc(Oc2ccc(NC(=O)Nc1cc(C)on1)c(Cl)c2)c3cc4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006447
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   18.1573    5.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8282    6.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6956    4.9077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0650    4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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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 11 10  1  0  0  0  0
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 22 21  2  0  0  0  0
 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
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 31 26  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006447-3D
FYIcenter.com

 51 54  0     0  0  0  0  0  0999 V2000
    1.0111   -1.1657   -2.2722 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    0.7449    1.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8120   -2.4355    1.0038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5387   -1.2076   -0.7945 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625    0.1157    0.7152 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749    0.5296    1.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5450    2.4609   -1.2320 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519   -0.3023   -0.4086 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5503   -0.4345   -0.5583 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812    0.2090    0.8343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9667    0.6388    0.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4999   -1.2301    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0269    0.6219   -1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6006    0.4810    0.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3790    3.0558   -0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501   -0.0497    0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4461   -0.1331   -0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4899    0.8361    1.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8394   -0.4004   -0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7753    0.5685    1.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8331   -1.2588   -2.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9724   -1.2793    0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6473   -1.1402   -1.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0118    0.3106   -0.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
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  3 27  1  0  0  0  0
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 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
 23 38  1  0  0  0  0
 25 39  1  0  0  0  0
 27 42  1  0  0  0  0
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 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
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 30 48  1  0  0  0  0
 31 32  1  0  0  0  0
 32 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-31, 2522👍, 0💬