Molecule FYI-1002117

A

Molecule Summary:

ID: FYI-1002117
Names:
InChIKey: PZFAZQUREQIODZ-LJQANCHMSA-N
SMILES: O=c2ccc1ncc(=O)n3c1n2C[C@H]3CN6CCC(NCc5cc4CCCOc4cn5)CC6

Received at FYIcenter.com on: 2023-01-31

Molecule ID: FYI-1002117 Edit

Molecule Structure InChIKey: PZFAZQUREQIODZ-LJQANCHMSA-N

Molecule Structure SMILES String: O=c2ccc1ncc(=O)n3c1n2C[C@H]3CN6CCC(NCc5cc4CCCOc4cn5)CC6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002117
FYIcenter.com

 33 38  0  0  1  0  0  0  0  0999 V2000
   17.6227    2.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9239    1.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5263    1.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8275    0.0915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8275    2.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5263    3.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9239    3.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4493    5.0663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6278    6.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2378    6.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4426    7.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5910    4.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3143    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4603    2.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1039    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8934    4.1929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6831    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0519    2.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2103    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    2.7953    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
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 11 10  2  0  0  0  0
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 12  6  1  0  0  0  0
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 14  5  1  0  0  0  0
 13 15  1  1  0  0  0
 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
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 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
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 23 22  1  0  0  0  0
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 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002117-3D
FYIcenter.com

 61 66  0     1  0  0  0  0  0999 V2000
   -5.1632   -3.2190   -0.1736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8245    3.6766   -0.6583 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9583    1.4401    0.0786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2923   -0.6163    0.2827 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0092   -0.8910   -0.2743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9475    1.3687   -0.4481 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9434   -0.4193   -0.0073 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7501   -0.8258    0.3174 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6090    1.0028    1.3901 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5961   -0.5969   -0.5847 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.7898   -1.1112   -0.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6384   -2.0973   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8770   -0.6749    1.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-07-11, 2087👍, 0💬