Molecule FYI-1007563

A

Molecule Summary:

ID: FYI-1007563
Names:
InChIKey: WSIIRBQCPVISIB-UHFFFAOYSA-N
SMILES: COc2cccc(C(=O)NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1)c2

Received at FYIcenter.com on: 2024-03-01

Molecule ID: FYI-1007563 Edit

Molecule Structure InChIKey: WSIIRBQCPVISIB-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2cccc(C(=O)NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007563
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.0623    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
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  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  7  1  0  0  0  0
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 16  3  2  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 25 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007563-3D
FYIcenter.com

 41 42  0     0  0  0  0  0  0999 V2000
   -5.8541    3.1673    1.1120 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8362    1.8991   -0.7141 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263    1.3111   -0.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4962   -2.6843   -0.8055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2068   -2.8647    0.8619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4802   -0.5641    0.2515 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6195   -0.9896   -0.1856 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2662   -0.9548   -0.4129 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8022   -0.0872    0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3931    0.8463   -0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1428    1.1518    0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7307   -0.8690   -0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4470    1.6218    0.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0351   -0.3990   -0.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    0.0840    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185    1.0588   -0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8004    1.3137   -0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9918    0.9497   -0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2604   -0.9949    0.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3211    0.2008   -0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4993   -0.1316    0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6337   -1.1039    0.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724   -1.7634   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2282    1.7264   -0.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7596   -1.0160   -1.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4050    0.5810   -0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2848    1.4726    0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6173   -1.7543    1.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5537   -0.2771    0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0278   -1.9424    1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379   -1.9111   -0.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6162    0.8163   -0.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4434    1.7636    0.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 18  1  0  0  0  0
  2 25  1  0  0  0  0
  3 20  2  0  0  0  0
  4 23  2  0  0  0  0
  5 24  2  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 37  1  0  0  0  0
  8 24  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 19 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-17, 175👍, 0💬