Molecule FYI-1009167

A

Molecule Summary:

ID: FYI-1009167
Names:
InChIKey: LECYHDYRKLUMSL-MRXNPFEDSA-N
SMILES: CC#CCn2c(N1CCC[C@@H](N)C1)nc4c2c(=O)n(Cc3ccccc3C(=O)O)c(=O)n4C

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009167 Edit

Molecule Structure InChIKey: LECYHDYRKLUMSL-MRXNPFEDSA-N

Molecule Structure SMILES String: CC#CCn2c(N1CCC[C@@H](N)C1)nc4c2c(=O)n(Cc3ccccc3C(=O)O)c(=O)n4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009167
FYIcenter.com

 33 36  0  0  1  0  0  0  0  0999 V2000
    6.0623   10.6043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.5043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   11.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   12.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7456    2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
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 33 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009167-3D
FYIcenter.com

 59 62  0     1  0  0  0  0  0999 V2000
   -1.2277    0.6431    1.3275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3180   -3.5815   -0.3989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7123    2.5139    1.7607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9031    0.7271    2.5063 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1934    1.9858   -1.6963 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1811   -1.9866   -0.3157 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-05-05, 1227👍, 0💬