Molecule FYI-1013758

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A

Molecule Summary:

ID: FYI-1013758
Names:
InChIKey: PZCUDXHWIHPMJE-UHFFFAOYSA-N
SMILES: c4ccc(C2CC(N1CCCC1)CC2c3ccccc3)cc4

Received at FYIcenter.com on: 2025-01-24

Molecule ID: FYI-1013758 Edit

Molecule Structure InChIKey: PZCUDXHWIHPMJE-UHFFFAOYSA-N

Molecule Structure SMILES String: c4ccc(C2CC(N1CCCC1)CC2c3ccccc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013758
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    9.8209    6.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1209    7.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7515    7.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    6.2204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8842    5.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    5.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    6.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    5.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8769    3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    4.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3075    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3457    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1686    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5609    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1305    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    5.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    6.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    4.0631    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
  5  1  1  0  0  0  0
  6  4  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
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013758-3D
FYIcenter.com

 47 50  0  0  1  0  0  0  0  0999 V2000
    1.4885   -0.2570    0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6485   -1.1029    0.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7384   -0.9553    0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3081    0.0420   -0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8023    0.2354   -0.1835 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6682   -0.1497    1.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1234   -0.1166    0.5020 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.9476    1.0777    0.7680 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8603    1.6641    2.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9391    0.9799    2.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0745    0.8864    1.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3855    0.7720    0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9854   -0.2458   -1.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4967   -0.4854   -1.3591 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1462   -1.9506   -1.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0980   -2.2623   -2.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7925   -3.5877   -2.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5249   -4.6258   -2.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5475   -4.3390   -1.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8487   -3.0157   -1.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4445    0.8880   -0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420    0.7409   -0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663   -0.3780    0.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700   -1.8857    1.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9610    1.3175   -0.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8862    1.6193    2.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2168    1.5488    3.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6147   -0.0198    3.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6780    1.8013    1.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7300    0.0368    2.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8180    1.4887   -0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5599   -0.2267    0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2768    0.6973   -1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6600   -1.0076   -1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2633    0.0433   -2.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1210   -5.1478   -0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6616   -2.8357   -0.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8494    1.6767   -1.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5943    1.4060   -1.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  2  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  2  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1128👍, 0💬