Molecule FYI-1002995

A

Molecule Summary:

ID: FYI-1002995
Names:
InChIKey: XDFDFUJTCOCLHM-UHFFFAOYSA-N
SMILES: Cc1ccccc1c5cc(Nc2cc(O)cc(O)c2C(=O)N4Cc3ccccc3C4)n(C)n5

Received at FYIcenter.com on: 2023-05-04

Molecule ID: FYI-1002995 Edit

Molecule Structure InChIKey: XDFDFUJTCOCLHM-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1c5cc(Nc2cc(O)cc(O)c2C(=O)N4Cc3ccccc3C4)n(C)n5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002995
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    7.3138    5.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    6.4229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    7.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1116    9.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    8.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651    7.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 27  4  1  0  0  0  0
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 32 27  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002995-3D
FYIcenter.com

 57 61  0     0  0  0  0  0  0999 V2000
    3.2182    1.3989   -2.2210 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1160    3.0047    0.5806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0935    4.8150    1.8827 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1769   -0.1260   -0.4663 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0195    1.1239   -1.1925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -0.3695   -2.0128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9321   -0.8461   -1.7493 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8827   -1.1940   -1.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7929   -0.5369    0.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9028   -2.3229   -0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4374   -3.5890   -0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -2.8296    2.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0990    2.0560   -0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7059    2.0547   -0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3333   -4.4872    0.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7028   -4.1103    1.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7557    2.9847    0.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0306    2.9820    0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2581   -0.2306   -0.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2456    0.6322   -0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 22  2  0  0  0  0
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  8 34  1  0  0  0  0
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M  END
$$$$

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2023-05-31, 1994👍, 0💬