Molecule FYI-1006540

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A

Molecule Summary:

ID: FYI-1006540
Names:
InChIKey: UNXXGQLMRXKUQU-UHFFFAOYSA-N
SMILES: C3CCC(C2CCC1CCCCN1C2)NC3

Received at FYIcenter.com on: 2024-01-02

Molecule ID: FYI-1006540 Edit

Molecule Structure InChIKey: UNXXGQLMRXKUQU-UHFFFAOYSA-N

Molecule Structure SMILES String: C3CCC(C2CCC1CCCCN1C2)NC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006540
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 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
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   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  1  0  0  0  0
  7  6  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 14  5  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 16  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006540-3D
FYIcenter.com

 42 44  0     1  0  0  0  0  0999 V2000
   -1.7759    0.5283    0.2060 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.8703   -1.1167    0.2459 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5610   -0.3268    0.2334 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2811   -0.7676   -0.2914 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3960    0.7767   -0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9833   -0.0595   -0.2557 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0741   -1.6973   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3751   -1.9195    0.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7155   -1.0210    0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6453    1.6400   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.3211    0.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6505    0.1206   -0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0762    1.4508    0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9111    1.5721   -0.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2489   -0.9237   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8038    0.4225    0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5550   -0.3281    1.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2914   -0.7575   -1.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    1.7365    0.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3535    0.8725   -1.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9932   -0.0816   -1.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6608   -2.5154    0.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1551   -1.7737   -1.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7308   -2.8679   -0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4238   -2.0192    1.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7210   -1.1402    1.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0982   -1.9576   -0.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6503    1.7415   -1.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2658    2.5830    0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.4091    1.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8699    2.1259   -0.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6392   -0.0392    0.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7838    0.1391   -1.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7061    2.2722   -0.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0912    1.4923    1.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5639   -2.0261   -0.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2664    2.5155    0.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9699    1.6712   -1.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035   -1.0037   -1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8711   -1.7263    0.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8163    0.5612   -0.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8832    0.4331    1.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  2 36  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 11  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
M  END
$$$$

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2024-01-10, 2204👍, 0💬