Molecule FYI-1003417

A

Molecule Summary:

ID: FYI-1003417
Names:
InChIKey: IXWGGRXLMHJJLQ-QRYBPTEFSA-N
SMILES: C=C(Cl)CN[C@@H]1C[C@@H]4CC(C1)N(C(=O)c3cnc2nccn2c3)C4

Received at FYIcenter.com on: 2023-06-14

Molecule ID: FYI-1003417 Edit

Molecule Structure InChIKey: IXWGGRXLMHJJLQ-QRYBPTEFSA-N

Molecule Structure SMILES String: C=C(Cl)CN[C@@H]1C[C@@H]4CC(C1)N(C(=O)c3cnc2nccn2c3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003417
FYIcenter.com

 24 27  0  0  1  0  0  0  0  0999 V2000
   12.6994    6.6514    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5188    7.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5188    8.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3382    6.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1575    7.3330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9769    6.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9769    5.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3294    4.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4718    5.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2263    6.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7963    7.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3142    5.3238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9103    2.0150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7115    3.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 11 10  1  0  0  0  0
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 24 23  1  0  0  0  0
 24 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003417-3D
FYIcenter.com

 44 47  0  0  1  0  0  0  0  0999 V2000
    1.8461    1.7095    1.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2603    0.6674    1.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8993    0.6452   -0.5400 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0400   -0.5155    1.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3683   -0.5253    1.1079 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2818   -1.6217    1.4380 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5350   -1.3255    0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2978   -1.5911   -0.9137 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8841   -2.1130   -1.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9079   -3.3988   -0.4459 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8451   -3.0699    1.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2303   -3.9476   -0.8635 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2572   -5.1332   -1.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2529   -5.7673   -1.9064 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5945   -5.6090   -2.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8415   -5.4805   -1.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0338   -5.8694   -1.5608 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1372   -6.4860   -2.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2033   -6.9921   -3.3594 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7702   -7.5209   -4.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4199   -7.3239   -4.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 30  1  1  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 33  1  6  0  0  0
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  9 35  1  0  0  0  0
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 15 23  2  0  0  0  0
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 17 18  1  0  0  0  0
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 24 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-01, 1965👍, 0💬