Molecule FYI-1006303

A

Molecule Summary:

ID: FYI-1006303
Names:
InChIKey: ZGEMXRIHLDHLSE-UHFFFAOYSA-N
SMILES: Cc4ccc(N(C)C(=O)N(C)Cc3ccc2C(=O)N(C1CCC(=O)NC1=O)Cc2c3)cc4Cl

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006303 Edit

Molecule Structure InChIKey: ZGEMXRIHLDHLSE-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(N(C)C(=O)N(C)Cc3ccc2C(=O)N(C1CCC(=O)NC1=O)Cc2c3)cc4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1006303
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    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
   13.4559    3.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2787    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3787    3.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7787    3.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4787    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8787    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7787    6.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3787    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    7.3249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4559    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8885    7.3641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  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  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  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 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  2  0  0  0  0
 21  8  2  0  0  0  0
 21  4  1  0  0  0  0
 22  2  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
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 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  2  0  0  0  0
 33 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006303-3D
FYIcenter.com

 58 61  0     1  0  0  0  0  0999 V2000
   -3.8777    4.0091   -0.7769 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6841   -2.6044    0.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918    0.6171   -2.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0336    3.9193   -0.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5647   -0.7936   -2.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7641   -0.4307    0.3092 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7344    2.2638   -1.0832 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4712   -2.3423   -0.8071 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3136   -1.0511    0.0493 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9706    0.3516    0.2526 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4276    0.1521    0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0394    1.3302    1.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5615   -1.0585    0.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422   -2.2140    0.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548   -1.8190    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    2.1511    1.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0036    1.0764   -1.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1824   -1.1467    0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3960   -2.4179    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966   -3.4805    0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3881    2.8787   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -3.5742    0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8828   -2.5516    0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4553   -1.3488   -1.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9918   -3.2189   -1.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8908    0.2670    0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6145   -2.0909    1.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2018    1.3811   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6363    4.1575    0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8381   -0.3194    0.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2828   -3.0827    0.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3 17  2  0  0  0  0
  4 21  2  0  0  0  0
  5 24  2  0  0  0  0
  6 10  1  0  0  0  0
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  7 17  1  0  0  0  0
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  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
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  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
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 14 20  1  0  0  0  0
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 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
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 18 41  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
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 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
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 26 28  2  0  0  0  0
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 33 58  1  0  0  0  0
M  END
$$$$

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2023-12-17, 1872👍, 0💬