Molecule FYI-1009175

A

Molecule Summary:

ID: FYI-1009175
Names:
InChIKey: MTVFAHPEFYZIQI-MRXNPFEDSA-N
SMILES: CC#CCn2c(N1CCC[C@@H](N)C1)nc4c2c(=O)n(Cc3ccc(Br)cc3C(=O)O)c(=O)n4C

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

Molecule ID: FYI-1009175 Edit

Molecule Structure InChIKey: MTVFAHPEFYZIQI-MRXNPFEDSA-N

Molecule Structure SMILES String: CC#CCn2c(N1CCC[C@@H](N)C1)nc4c2c(=O)n(Cc3ccc(Br)cc3C(=O)O)c(=O)n4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009175
FYIcenter.com

 34 37  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   11.3043    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
    3.6373   13.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.8042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8456    3.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
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 15  3  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  3  0  0  0  0
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 23 18  1  0  0  0  0
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 32 33  1  6  0  0  0
 34 32  1  0  0  0  0
 34 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009175-3D
FYIcenter.com

 59 62  0     1  0  0  0  0  0999 V2000
    6.1990   -2.1160    2.7063 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9808   -0.5006   -1.4697 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8837    3.7161    0.3797 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366   -2.0816   -2.2293 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3550   -0.3681   -0.6989 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -4.3813   -0.8833    1.4097 C   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, 1316👍, 0💬