Molecule FYI-1013231

A

Molecule Summary:

ID: FYI-1013231
Names:
InChIKey: QNMCIYVPMWYCSA-YBFXNURJSA-N
SMILES: O=C(N/N=C/c1ccccc1O)C34CC2CC(CC(C2)C3)C4

Received at FYIcenter.com on: 2024-11-26

Molecule ID: FYI-1013231 Edit

Molecule Structure InChIKey: QNMCIYVPMWYCSA-YBFXNURJSA-N

Molecule Structure SMILES String: O=C(N/N=C/c1ccccc1O)C34CC2CC(CC(C2)C3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013231
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.3905    4.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3347    4.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2790    4.9799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2232    4.3704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1674    4.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1116    4.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0559    4.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1116    3.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3212    1.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5956    0.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5538    3.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7093    3.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  1  0  0  0  0
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 21 13  1  0  0  0  0
 22 17  1  0  0  0  0
 22 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013231-3D
FYIcenter.com

 44 47  0     0  0  0  0  0  0999 V2000
   -0.7652   -2.2886   -0.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2214    2.4564   -0.0155 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1036   -0.1345   -0.0238 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3851   -0.5671   -0.0128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2749   -0.4361   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8489    1.0788   -1.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8139    1.1193    1.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7597   -0.8776    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4573    0.4227   -1.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4224    0.4623    1.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3646   -1.5262    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8914    0.0211    1.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9131   -1.0688   -0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2605    0.3852   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6333    1.1573   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1506   -1.2099    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.8786    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5174   -1.4886    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4421   -0.4444    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  3 38  1  0  0  0  0
  4 16  2  0  0  0  0
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  6  9  1  0  0  0  0
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  6 23  1  0  0  0  0
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  7 24  1  0  0  0  0
  8 11  1  0  0  0  0
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 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
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 18 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END
$$$$

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2024-12-18, 901👍, 0💬