Molecule FYI-1015832

A

Molecule Summary:

ID: FYI-1015832
Names:
InChIKey: HKRCYISXCOLPGD-KRWDZBQOSA-N
SMILES: Cc5c(C)n(C[C@H]4COc3ccc(c2ccc1nccn1c2)cc3O4)c(=O)n(O)c5=O

Received at FYIcenter.com on: 2025-10-17

Molecule ID: FYI-1015832 Edit

Molecule Structure InChIKey: HKRCYISXCOLPGD-KRWDZBQOSA-N

Molecule Structure SMILES String: Cc5c(C)n(C[C@H]4COc3ccc(c2ccc1nccn1c2)cc3O4)c(=O)n(O)c5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015832
FYIcenter.com

 31 35  0  0  1  0  0  0  0  0999 V2000
   14.2788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4912    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4912    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7036    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7036    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0664    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.0326    0.0000 N   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
    0.8229    3.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2788    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2788    5.6000    0.0000 O   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  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  1  0  0  0
 12 11  1  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
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 22  1  0  0  0  0
 27 13  1  0  0  0  0
 27 17  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 11  1  0  0  0  0
 30  9  1  0  0  0  0
 30  4  1  0  0  0  0
 31 30  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015832-3D
FYIcenter.com

 51 55  0  0  1  0  0  0  0  0999 V2000
    3.9227    2.1985   -2.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999    0.9554   -1.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2549   -0.2655   -1.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1521   -0.5538   -2.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0216   -1.3047   -0.6485 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8729   -2.5164   -0.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1642   -3.8876   -0.5535 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3326   -4.1804   -1.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0344   -5.5630   -2.0594 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4920   -6.4176   -1.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8453   -7.6430   -0.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2437   -8.5397    0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291   -8.2350    0.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7881   -9.2184    1.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956   -9.4196    3.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6573  -10.3508    4.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7638  -11.1663    3.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4142  -12.1154    4.2863 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4114  -12.5141    3.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3600  -11.8162    2.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3077  -10.9518    2.3827 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8272  -10.0045    1.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9979   -7.0121    0.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5582   -6.1049   -0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1845   -4.8894   -0.3583 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582   -1.1287    0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423   -1.9391    1.3607 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    0.0475    0.4524 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6112    0.2313    1.5884 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0217   -7.8916   -1.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7093   -9.4799    0.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3617   -8.7805    3.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2159  -10.4961    4.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9703  -11.8480    1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3284   -9.9398    0.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8306   -6.7514    1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8408   -0.5489    2.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 40  1  1  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 43  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
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 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 413👍, 0💬