Molecule FYI-1002989

A

Molecule Summary:

ID: FYI-1002989
Names:
InChIKey: JYTNQNCOQXFQPK-INIZCTEOSA-N
SMILES: Cc5ccc(n1nccn1)c(C(=O)N4CCN(c3nc2cc(Cl)ccc2o3)CC[C@@H]4C)c5

Received at FYIcenter.com on: 2023-05-04

Molecule ID: FYI-1002989 Edit

Molecule Structure InChIKey: JYTNQNCOQXFQPK-INIZCTEOSA-N

Molecule Structure SMILES String: Cc5ccc(n1nccn1)c(C(=O)N4CCN(c3nc2cc(Cl)ccc2o3)CC[C@@H]4C)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002989
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
    3.4419    1.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7451    2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7714    1.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1558    1.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8558    2.5727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3443    3.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0064    4.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2518    2.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9878    1.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3479    1.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1319    3.4314    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.7138    3.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4525    3.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1571    3.5361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
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  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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 23  5  1  0  0  0  0
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 31 30  2  0  0  0  0
 31 25  1  0  0  0  0
 32 31  1  0  0  0  0
 32 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002989-3D
FYIcenter.com

 55 59  0     1  0  0  0  0  0999 V2000
    7.9326    0.8724   -2.5516 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6974   -0.4511    1.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3563   -1.0954    1.9751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2753   -0.7640    0.9398 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5589    0.4752    1.3451 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148    1.1736   -0.3147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9444   -0.8305   -1.3490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9634   -1.9393   -0.5920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9763   -0.9657   -2.6846 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664   -1.9003    1.6627 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -0.9656   -3.2097    0.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7952   -0.2716    0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8174    2.9721    0.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 26  1  0  0  0  0
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 32 55  1  0  0  0  0
M  END
$$$$

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2023-05-31, 2436👍, 0💬