Molecule FYI-1006305

A

Molecule Summary:

ID: FYI-1006305
Names:
InChIKey: IDKCOYRQNGTXHA-UHFFFAOYSA-N
SMILES: Cc5ccc(N4CCN(Cc3ccc2C(=O)N(C1CCC(=O)NC1=O)Cc2c3)C4=O)cc5Cl

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

Molecule ID: FYI-1006305 Edit

Molecule Structure InChIKey: IDKCOYRQNGTXHA-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5ccc(N4CCN(Cc3ccc2C(=O)N(C1CCC(=O)NC1=O)Cc2c3)C4=O)cc5Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1006305
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
   16.3976    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8282    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6511    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0434    2.2652    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0817    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6893    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8664    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4358    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1199    5.1158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8199    6.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7101    4.4701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
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  9  6  1  0  0  0  0
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 32 12  1  0  0  0  0
 32  9  1  0  0  0  0
 33 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006305-3D
FYIcenter.com

 56 60  0     1  0  0  0  0  0999 V2000
    7.7491   -1.9409   -2.0399 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5385    2.0983   -1.6698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6147   -0.0065    1.6768 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5533    0.4454    1.8896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0481   -4.1208    0.1878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8287    0.2587   -0.3675 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3871    2.3501    0.5096 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9612    0.7808    0.0181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2875   -2.0686    0.9102 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6035    1.4425    0.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 22  1  0  0  0  0
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 20 45  1  0  0  0  0
 22 46  1  0  0  0  0
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 33 56  1  0  0  0  0
M  END
$$$$

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2023-12-17, 389👍, 0💬