Molecule FYI-1013304

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A

Molecule Summary:

ID: FYI-1013304
Names:
InChIKey: SNICXCGAKADSCV-SNVBAGLBSA-N
SMILES: CN1CCC[C@@H]1c2cccnc2

Received at FYIcenter.com on: 2024-12-05

Molecule ID: FYI-1013304 Edit

Molecule Structure InChIKey: SNICXCGAKADSCV-SNVBAGLBSA-N

Molecule Structure SMILES String: CN1CCC[C@@H]1c2cccnc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013304
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2073    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013304-3D
FYIcenter.com

 26 27  0     1  0  0  0  0  0999 V2000
    1.6992   -0.6525    0.5017 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8736   -0.6212   -0.7321 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8831   -0.1407   -0.6176 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5205    1.2138   -0.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7269    1.3434   -0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379   -0.0887    0.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5840   -0.0199   -0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7229   -2.1078    0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9948    0.7603    0.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5493   -0.6851   -0.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3489    0.8510    1.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2398    0.1474    0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9949   -0.7952   -1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8553    2.0773   -0.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8619    1.1886   -2.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5702    1.8379   -0.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4579    1.9292    0.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900   -0.5877   -0.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   -0.1389    1.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3315   -2.4345    1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1306   -2.5652   -0.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7151   -2.5046    0.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2782    1.3033    1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2886   -1.3104   -1.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6959    1.4534    1.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3065    0.1850    0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$

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2024-12-18, 1188👍, 0💬