Molecule FYI-1010634

A

Molecule Summary:

ID: FYI-1010634
Names:
InChIKey: ANBOODCPHRWWQQ-UHFFFAOYSA-O
SMILES: Cc4ccc(OCC(O)Cn3c(=[NH2+])n(CCN1CCOCC1)c2ccccc23)cc4

Received at FYIcenter.com on: 2024-06-28

Molecule ID: FYI-1010634 Edit

Molecule Structure InChIKey: ANBOODCPHRWWQQ-UHFFFAOYSA-O

Molecule Structure SMILES String: Cc4ccc(OCC(O)Cn3c(=[NH2+])n(CCN1CCOCC1)c2ccccc23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1010634
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   18.0539    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8415    6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6291    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4166    6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4166    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9918    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    2.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5669    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0756    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2082    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6291    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8415    4.7552    0.0000 C   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  4  2  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
  9  8  1  0  0  0  0
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 28 11  1  0  0  0  0
 28 23  1  0  0  0  0
 29  5  1  0  0  0  0
 30 29  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010634-3D
FYIcenter.com

 61 64  0     1  0  0  0  0  0999 V2000
   -8.3865    1.9720   -0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5495    1.4764   -0.7974 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0198    0.4085   -0.0092 N   0  3  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-07-15, 1827👍, 0💬