Molecule FYI-1007652

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A

Molecule Summary:

ID: FYI-1007652
Names:
InChIKey: CUHVIMMYOGQXCV-NSHDSACASA-N
SMILES: Cc2cccc([C@H](C)c1cnc[nH]1)c2C

Received at FYIcenter.com on: 2024-03-08

Molecule ID: FYI-1007652 Edit

Molecule Structure InChIKey: CUHVIMMYOGQXCV-NSHDSACASA-N

Molecule Structure SMILES String: Cc2cccc([C@H](C)c1cnc[nH]1)c2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007652
FYIcenter.com

 15 16  0  0  1  0  0  0  0  0999 V2000
    5.8530    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
  4 13  1  1  0  0  0
 14  3  2  0  0  0  0
 15 14  1  0  0  0  0
 15  1  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007652-3D
FYIcenter.com

 31 32  0     1  0  0  0  0  0999 V2000
    2.5808    1.0221   -0.4692 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3726    0.1767    1.4257 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7254   -0.5220   -1.0827 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6070   -0.5034   -0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3933    0.6486   -0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8712   -0.0633   -0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1107   -1.8508   -1.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6342    0.6411    0.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0618   -1.6631    0.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9054    1.8923   -1.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0890   -0.5186    0.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029   -1.6708    0.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3293   -0.5881    0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4951    1.8616    0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4986    1.1377    0.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6891    0.1786   -1.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0153   -1.7155   -2.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3091   -2.1910   -2.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3258   -2.6507   -1.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4707   -2.5730    0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411    1.7409   -2.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5469    2.7643   -0.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0714    2.1903   -0.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0527   -0.5420    1.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6557   -2.5726    1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807    1.6388   -1.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9991   -1.4635    1.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0026    2.6739    0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7425    2.1861   -0.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4470    1.6706    0.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2244    1.9381    0.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  1 26  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6 13  2  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

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2024-03-17, 190👍, 0💬