Molecule FYI-1008565

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A

Molecule Summary:

ID: FYI-1008565
Names:
InChIKey: AOLGPUHMHFJSJQ-UHFFFAOYSA-N
SMILES: Nc1nccc2CCNCc12

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008565 Edit

Molecule Structure InChIKey: AOLGPUHMHFJSJQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1nccc2CCNCc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008565
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 N   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
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   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
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008565-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
   -2.4023    0.9482    0.3571 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3776   -0.0515   -0.0015 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6634    2.1985   -0.0677 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7184   -1.3938    0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2868   -0.9264    0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.4441    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7056   -0.2962   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0939    1.4703   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3433    0.8188   -0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7602   -1.8483    0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0583   -1.3638    0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8508   -2.2541   -0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9380   -1.7247    1.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6783   -0.1317   -1.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7228   -0.6184   -0.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651    2.3050    0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1623    1.8642   -1.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1189    1.6428    0.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5713   -2.9161    0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9038   -2.0437    0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6499    2.4288   -0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0424    2.8211   -0.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2  9  2  0  0  0  0
  2 11  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1197👍, 0💬