Molecule FYI-1016243

A

Molecule Summary:

ID: FYI-1016243
Names:
InChIKey: RHJIUZMDTSMYFE-UHFFFAOYSA-N
SMILES: Cc1ccccc1CC(=O)N5CCc4cc(c2cn(C)c3ncnc(N)c23)ccc45

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

Molecule ID: FYI-1016243 Edit

Molecule Structure InChIKey: RHJIUZMDTSMYFE-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1CC(=O)N5CCc4cc(c2cn(C)c3ncnc(N)c23)ccc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1016243
FYIcenter.com

 30 34  0  0  0  0  0  0  0  0999 V2000
   10.0570    0.9863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4494    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0188    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4111    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7021    3.9274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9811    4.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4897    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4494    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0799    3.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6473    5.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    6.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.1332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.0332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    4.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7737    3.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1432    2.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2340    1.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6646    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2722    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 17  1  0  0  0  0
 24 15  2  0  0  0  0
 25 11  2  0  0  0  0
 25 14  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27  9  1  0  0  0  0
 28  4  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016243-3D
FYIcenter.com

 53 57  0     0  0  0  0  0  0999 V2000
   -3.1857   -0.1863    0.9466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0065    0.6497   -0.8857 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4330    1.3196    1.0367 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8481   -0.5617    0.5143 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6322   -2.4133   -0.4960 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870   -2.3420   -0.9113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4994    1.4600   -2.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2101    1.0117   -1.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9677    1.2124   -2.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828    0.5519   -0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5784    1.0195   -1.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0521    0.5550    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2197    0.0875    0.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4639    0.5505    0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1511    0.2825   -0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1590    0.0921    1.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4420   -0.4494    0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4441    0.4958   -0.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027    1.6286    0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6561    0.0594    0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6140    0.1093   -0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4628   -1.7356   -0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9179   -1.2315    0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4358    2.1977    1.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4058    1.1125    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0137   -1.5691    0.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7373   -1.7928   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0849   -2.3230   -0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5018    0.7750    1.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8056   -0.5658    1.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2637   -2.6085    1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6579   -2.3627   -0.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1180    1.5560    1.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3435   -3.2765   -1.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  2  0  0  0  0
  2  9  1  0  0  0  0
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  2 15  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 24  1  0  0  0  0
  4 20  2  0  0  0  0
  4 27  1  0  0  0  0
  5 22  1  0  0  0  0
  5 27  2  0  0  0  0
  6 22  1  0  0  0  0
  6 51  1  0  0  0  0
  6 52  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
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 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 21 23  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 23 28  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 29  1  0  0  0  0
 25 44  1  0  0  0  0
 26 30  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  2  0  0  0  0
 29 50  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
$$$$

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2025-12-09, 623👍, 0💬