Molecule FYI-1002990

A

Molecule Summary:

ID: FYI-1002990
Names:
InChIKey: JYTNQNCOQXFQPK-MRXNPFEDSA-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-1002990 Edit

Molecule Structure InChIKey: JYTNQNCOQXFQPK-MRXNPFEDSA-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-1002990
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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   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  1  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
  7  6  1  0  0  0  0
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  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
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 22 18  1  0  0  0  0
 23  5  1  0  0  0  0
 24 23  1  0  0  0  0
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 28 27  2  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-1002990-3D
FYIcenter.com

 55 59  0     1  0  0  0  0  0999 V2000
    7.9362   -0.8750   -2.5467 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6968    0.4528    1.1887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3558    1.0957    1.9753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2757    0.7657    0.9380 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5582   -0.4738    1.3431 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -1.1726   -0.3155 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9474    0.8284   -1.3480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9811    0.9632   -2.6836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9649    1.9374   -0.5913 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6667    1.9029    1.6595 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8461    1.7974    1.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3819   -1.0658    0.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9667    3.2113    0.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6314    0.4855    1.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7951    0.2725    0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
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 23 28  1  0  0  0  0
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 26 29  2  0  0  0  0
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 30 53  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, 3125👍, 0💬