Molecule FYI-1016241

A

Molecule Summary:

ID: FYI-1016241
Names:
InChIKey: NQBVRBQEOIDGNV-UHFFFAOYSA-N
SMILES: Cc4cc(=O)n(C1CCC1)c5nc(Nc3cccc(N2CCOCC2)c3)ncc45

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016241 Edit

Molecule Structure InChIKey: NQBVRBQEOIDGNV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(=O)n(C1CCC1)c5nc(Nc3cccc(N2CCOCC2)c3)ncc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1016241
FYIcenter.com

 29 33  0  0  0  0  0  0  0  0999 V2000
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4770    9.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4971    9.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   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
    1.2125    0.0000    0.0000 O   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 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
    4.8498    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  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  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  2  0  0  0  0
 23 12  1  0  0  0  0
 24 10  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26  8  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 29  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016241-3D
FYIcenter.com

 54 58  0  0  0  0  0  0  0  0999 V2000
    1.0165    0.0619    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138    0.0204    0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1863   -1.1333   -0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6678   -1.2063   -0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1709   -2.3190   -0.1654 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3696   -0.0066    0.0390 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8672    0.0070    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5567   -1.2112    0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5800   -0.2453    1.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5529    0.8794    1.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6837    1.2491    0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4262    2.3861    0.0266 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7791    3.5562    0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5323    4.7252    0.0728 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1884    5.9775   -0.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    7.1446    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2920    8.3938   -0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4126    8.4818   -1.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8929    7.3426   -2.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0364    7.4210   -3.1286 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0882    8.5182   -4.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7406    9.2461   -4.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6571    8.3342   -4.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8842    6.5185   -3.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2912    6.1033   -1.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4461    3.6546    0.0201 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7352    2.5169    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2975    1.2620    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850   -0.9454    0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1114    9.4730   -1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7507    9.9792   -4.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5468    9.7839   -3.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2558    6.6890   -3.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0104    5.9322   -4.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7889    5.8175   -2.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
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  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
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 11 29  2  0  0  0  0
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 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
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 24 49  1  0  0  0  0
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 26 53  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 377👍, 0💬