Molecule FYI-1016759

A

Molecule Summary:

ID: FYI-1016759
Names:
InChIKey: HMXNZBLPCZDMNS-KRWDZBQOSA-N
SMILES: NC5CN(C(=O)[C@@H](Sc3nnc2c1ccccc1[nH]c2n3)c4cc(F)c(F)cc4F)C5

Received at FYIcenter.com on: 2026-03-06

Molecule ID: FYI-1016759 Edit

Molecule Structure InChIKey: HMXNZBLPCZDMNS-KRWDZBQOSA-N

Molecule Structure SMILES String: NC5CN(C(=O)[C@@H](Sc3nnc2c1ccccc1[nH]c2n3)c4cc(F)c(F)cc4F)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1016759
FYIcenter.com

 31 35  0  0  1  0  0  0  0  0999 V2000
    8.9660    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9660    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7535    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5411    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7535    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9660    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9660    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1784    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1784    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1885    8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1784    9.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1683    8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1784   11.0798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3908    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7535    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5411    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3287    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    6.0326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    4.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2154    2.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    3.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3287    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5411    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1784    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3908    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1784    2.1000    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  3  2  0  0  0  0
  6  5  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
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  2  0  0  0  0
  7 15  1  6  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 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 20  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 18  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 28 16  2  0  0  0  0
 29  6  2  0  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 31  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016759-3D
FYIcenter.com

 46 50  0  0  1  0  0  0  0  0999 V2000
    2.4865    1.9906    4.2269 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6579    1.5997    3.4437 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2529    1.3225    1.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276    0.1319    2.0882 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3550    0.0527    1.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6992    0.9364    0.6619 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2023   -1.2002    1.7414 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2887   -2.1848    0.1713 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2785   -1.1672   -0.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2359   -1.5289   -2.2271 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9871   -0.9127   -3.1478 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7550    0.1095   -2.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6634    0.9770   -3.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1433    1.0809   -4.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0422    2.1024   -5.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4448    3.0257   -4.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9910    2.9394   -2.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1170    1.8922   -2.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5501    1.5330   -1.1951 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7426    0.4425   -1.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0543   -0.1932   -0.3983 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -0.9722    2.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0874    0.3103    2.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4047    0.4649    3.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8954    1.7009    3.2283 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2127   -0.6425    3.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4901   -0.4812    3.6570 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7053   -1.9215    3.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3866   -2.0731    2.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9150   -3.3205    2.5538 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9197    0.0814    3.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1784    2.9454    4.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6323    1.9532    5.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5416    2.2344    3.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    2.0770    1.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2141    1.0338    1.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6332   -1.8289    2.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8248    0.3676   -5.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250    2.1767   -6.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    3.8245   -4.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3141    3.6607   -1.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7020    1.9999   -0.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5136    1.2108    2.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3298   -2.7891    3.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7965   -0.1996    4.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0684   -0.5583    3.8109 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
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 37  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  2  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  2  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 44  1  0  0  0  0
 29 30  1  0  0  0  0
 31 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  END
$$$$

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2026-03-22, 190👍, 0💬