Molecule FYI-1014543

A

Molecule Summary:

ID: FYI-1014543
Names:
InChIKey: ZCUDEDKSIMZHMK-UHFFFAOYSA-N
SMILES: CC3(C)Cc1nc(cc(OP(=O)(O)O)n1)NCC2(CC2)C3

Received at FYIcenter.com on: 2025-04-26

Molecule ID: FYI-1014543 Edit

Molecule Structure InChIKey: ZCUDEDKSIMZHMK-UHFFFAOYSA-N

Molecule Structure SMILES String: CC3(C)Cc1nc(cc(OP(=O)(O)O)n1)NCC2(CC2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014543
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.9962    1.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2336    3.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9496    2.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7122    4.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6656    5.0580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2991    5.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2525    4.1797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0151    2.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5501    3.7962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5501    5.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7334    5.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.4794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8665    3.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6983    1.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2991    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014543-3D
FYIcenter.com

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.7889    1.4609    1.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3011    1.4029    1.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3176    1.9934   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1597    2.4651    2.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123    2.8401    2.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4961    1.8901    2.8124 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4789    1.4934    1.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1647    2.4294    1.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6289    3.6967    1.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.7594    0.9072 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3050    6.1691    1.8909 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.2202    5.6183    2.9887 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3165    7.0145    0.9282 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1104    7.5789    2.8746 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3035    3.8943    1.6703 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3421    0.1111    1.4879 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9251    0.1821    1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9004   -0.8515    0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0313   -1.9226   -0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1763   -2.2930    1.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5222   -0.2339    1.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737    2.4714    1.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3346   -0.4409    2.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    0.9223    0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4586    0.4297    2.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9237   -1.9355   -0.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1437   -2.2897   -0.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719   -2.5530    1.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3784   -2.8755    1.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2740   -0.6156    2.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7725   -0.6694    0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 16 17  1  0  0  0  0
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 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1764👍, 0💬