Molecule FYI-1016756

A

Molecule Summary:

ID: FYI-1016756
Names:
InChIKey: SSCHOAZINFKKLA-HNAYVOBHSA-N
SMILES: O=C(NC[C@@H]1CCCO1)[C@H](Sc4nnc3c2ccccc2[nH]c3n4)c5ccc(C(F)(F)F)cc5

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

Molecule ID: FYI-1016756 Edit

Molecule Structure InChIKey: SSCHOAZINFKKLA-HNAYVOBHSA-N

Molecule Structure SMILES String: O=C(NC[C@@H]1CCCO1)[C@H](Sc4nnc3c2ccccc2[nH]c3n4)c5ccc(C(F)(F)F)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1016756
FYIcenter.com

 34 38  0  0  1  0  0  0  0  0999 V2000
    9.3178    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5302    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7426    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9552    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1015    5.6077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4708    5.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1708    6.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2341    7.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    7.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6805    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    4.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    3.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    3.5307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5054    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7054    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    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  6  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
  9  5  1  0  0  0  0
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 32 29  1  0  0  0  0
 33 28  1  0  0  0  0
 34 33  2  0  0  0  0
 34 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016756-3D
FYIcenter.com

 54 58  0  0  1  0  0  0  0  0999 V2000
    3.1530   -3.2902    1.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5225   -2.2784    0.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1561   -2.3261    0.7271 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4473   -3.5917    0.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0331   -3.3699    0.3224 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8456   -4.6526    0.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9711   -4.2735   -0.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2632   -3.4019   -1.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696   -2.7692   -0.9836 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1443   -0.8615    0.9465 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2394    0.3170   -0.1541 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6558   -0.3739   -1.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2986    0.4391   -2.6146 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -0.0221   -3.7970 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4501   -1.3258   -4.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7866   -2.1687   -5.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5213   -1.9942   -6.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6669   -3.0733   -7.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0868   -4.3076   -6.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3582   -4.5099   -5.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2318   -3.4259   -4.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026   -3.3389   -3.6504 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7496   -2.0827   -3.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3110   -1.6616   -1.9424 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3677    0.2654    1.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7255    0.4778    1.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103   -0.3298    0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8561   -0.0661   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 22 50  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 34  2  0  0  0  0
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 33 34  1  0  0  0  0
 33 53  1  0  0  0  0
 34 54  1  0  0  0  0
M  END
$$$$

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2026-03-22, 114👍, 0💬