Molecule FYI-1015014

A

Molecule Summary:

ID: FYI-1015014
Names:
InChIKey: HCQVLJDXLPLYEX-MDZRGWNJSA-N
SMILES: Cc1ccccc1[C@@H](O)CN[C@@H]3CCC[C@@H](c2ccnn2C)C3

Received at FYIcenter.com on: 2025-06-14

Molecule ID: FYI-1015014 Edit

Molecule Structure InChIKey: HCQVLJDXLPLYEX-MDZRGWNJSA-N

Molecule Structure SMILES String: Cc1ccccc1[C@@H](O)CN[C@@H]3CCC[C@@H](c2ccnn2C)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015014
FYIcenter.com

 23 25  0  0  1  0  0  0  0  0999 V2000
   10.7029    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015014-3D
FYIcenter.com

 50 52  0  0  1  0  0  0  0  0999 V2000
    0.1075   -5.5876    0.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0756   -5.3502   -0.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3239   -6.4261   -1.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004   -6.2994   -2.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0745   -5.0922   -3.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3239   -4.0149   -2.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4043   -4.1150   -1.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8525   -2.8613   -0.4943 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3360   -2.7703    0.8310 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891   -2.6310   -0.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1534   -3.6029    0.3094 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6232   -3.4191    0.2041 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2929   -4.4718    1.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7969   -4.2704    1.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1755   -2.8239    1.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 27  1  0  0  0  0
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  4 28  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 31  1  6  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 16 43  1  1  0  0  0
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 23 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-18, 1135👍, 0💬