Molecule FYI-1005041

A

Molecule Summary:

ID: FYI-1005041
Names:
InChIKey: UKYJDWQKFQDRRX-DYESRHJHSA-N
SMILES: CCN(CC)C(=O)[C@@H]5C=C4c1cccc2c1c(cn2C(=O)c3cccs3)C[C@H]4N(C)C5

Received at FYIcenter.com on: 2023-10-10

Molecule ID: FYI-1005041 Edit

Molecule Structure InChIKey: UKYJDWQKFQDRRX-DYESRHJHSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)[C@@H]5C=C4c1cccc2c1c(cn2C(=O)c3cccs3)C[C@H]4N(C)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005041
FYIcenter.com

 31 35  0  0  1  0  0  0  0  0999 V2000
   11.0378    3.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6403    3.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9416    4.6321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5100    5.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715    6.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715    8.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2613    8.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    8.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8409    8.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8409   10.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510   11.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2613   10.3374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715   11.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6307   11.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6307   12.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   10.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4715    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5100    0.9350    0.0000 S   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
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  9  8  2  0  0  0  0
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  7 12  1  6  0  0  0
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 21  8  1  0  0  0  0
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 23 22  1  0  0  0  0
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 26 25  2  0  0  0  0
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 26  5  1  0  0  0  0
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 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 31 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005041-3D
FYIcenter.com

 58 62  0  0  1  0  0  0  0  0999 V2000
    1.7965    0.2955   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5549   -0.6450    0.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8988   -1.9300    0.1098 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8777   -2.9530   -0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6454   -2.8740    0.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0983   -1.9728   -0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7736   -0.9428   -0.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5825   -3.3391   -1.2025 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9216   -4.3244   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1764   -4.3354    0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8287   -4.7614    4.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2401   -3.6718    3.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2157   -3.7663    2.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3636   -1.6769    5.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9449   -0.2717    5.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0904    0.3997    4.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-10-27, 1735👍, 0💬