Molecule FYI-1009107

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A

Molecule Summary:

ID: FYI-1009107
Names:
InChIKey: LBPNOEAFWYTTEB-UHFFFAOYSA-N
SMILES: CCn3c1ccccc1c2cc(CNC)ccc23

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009107 Edit

Molecule Structure InChIKey: LBPNOEAFWYTTEB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCn3c1ccccc1c2cc(CNC)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009107
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    6.9492    2.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3818    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2492    4.6934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1165    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5492    2.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8859    1.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2554    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6880    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7512    4.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471    4.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    1.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2492    6.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4616    6.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    1.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  9  2  0  0  0  0
  1  6  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  5 13  1  0  0  0  0
  4 10  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009107-3D
FYIcenter.com

 36 38  0     0  0  0  0  0  0999 V2000
   -1.4905    1.1834    0.1791 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -0.5283   -0.8213 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1321    0.9918    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0959   -0.3833    0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1470   -0.0191    0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1779   -1.0223    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1424    2.4779    0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4249   -0.8504    0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9022    1.9259    0.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4699    0.0716    0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5150   -0.2902   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5957   -2.3660   -0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2100    1.4389    0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8778   -0.4181    0.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2937    3.0671   -1.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039   -1.6287   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9603   -2.6528   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8745   -0.9974   -0.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1204    2.3675    0.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5622    3.1495    0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6297   -1.9169    0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7135    2.9934    0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2596    0.4982   -0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8717   -3.1758   -0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0270    2.1506    0.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4585    0.2647    1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8946   -1.3904    1.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3194    3.2052   -1.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7884    4.0418   -1.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8936    2.4152   -1.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9590   -1.8727   -0.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2853   -3.6865   -0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9754   -1.1883   -1.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4839   -0.3004   -0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3229   -1.0683   -1.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9231   -1.9893   -0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2 14  1  0  0  0  0
  2 18  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
  9 13  2  0  0  0  0
  9 22  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 23  1  0  0  0  0
 12 17  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1323👍, 0💬