Molecule FYI-1002981

A

Molecule Summary:

ID: FYI-1002981
Names:
InChIKey: JYTNQNCOQXFQPK-UHFFFAOYSA-N
SMILES: Cc5ccc(n1nccn1)c(C(=O)N4CCN(c3nc2cc(Cl)ccc2o3)CCC4C)c5

Received at FYIcenter.com on: 2023-05-03

Molecule ID: FYI-1002981 Edit

Molecule Structure InChIKey: JYTNQNCOQXFQPK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5ccc(n1nccn1)c(C(=O)N4CCN(c3nc2cc(Cl)ccc2o3)CCC4C)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002981
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
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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
   12.5046    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7660    1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8706    2.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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  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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 23  5  1  0  0  0  0
 24 23  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
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 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-1002981-3D
FYIcenter.com

 55 59  0     1  0  0  0  0  0999 V2000
    8.4517   -0.5125   -1.3552 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0232    1.1498   -0.1484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4014   -1.1404    1.9387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2865   -0.8441    0.9632 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5725    0.2965    1.4710 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -0.5455    1.1138 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8989   -0.7662   -1.3897 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9697   -1.8944   -0.6650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9018   -0.8635   -2.7289 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7297   -2.0180    1.6680 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7779   -1.9664    1.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0494   -3.2968    0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7953   -0.1452    0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2980    0.8924   -0.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3672    1.5821   -1.4146 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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 26 29  2  0  0  0  0
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 32 55  1  0  0  0  0
M  END
$$$$

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2023-05-31, 1635👍, 0💬