Molecule FYI-1016142

A

Molecule Summary:

ID: FYI-1016142
Names:
InChIKey: XFBGIWRYDFASNG-UHFFFAOYSA-N
SMILES: Cc5ccc(c3nc(=S)[nH]c4nc(c1ccc(C)c(F)c1)n(c2ccc(C)c(F)c2)c34)cc5F

Received at FYIcenter.com on: 2025-11-26

Molecule ID: FYI-1016142 Edit

Molecule Structure InChIKey: XFBGIWRYDFASNG-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5ccc(c3nc(=S)[nH]c4nc(c1ccc(C)c(F)c1)n(c2ccc(C)c(F)c2)c34)cc5F

Download SDF Download SVG Structure in 2D SDF:

FYI-1016142
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    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
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    6.5368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    7.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    6.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4797    4.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8491    4.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    5.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3533    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9839    7.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1553    5.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    9.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2083    9.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083   10.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2083   11.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083   11.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083   10.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083   12.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   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
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3083   10.2406    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2901    8.0355    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 F   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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  6  1  0  0  0  0
  8 11  1  0  0  0  0
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 11 12  2  0  0  0  0
 14 17  1  0  0  0  0
  9 18  1  0  0  0  0
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  1 25  1  0  0  0  0
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 28 31  1  0  0  0  0
 20 32  1  0  0  0  0
 15 33  1  0  0  0  0
 27 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016142-3D
FYIcenter.com

 53 57  0  0  0  0  0  0  0  0999 V2000
    1.7016    1.4992   -1.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5151    0.6111   -0.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6735   -0.6641   -0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4313   -1.5039   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7195   -1.0378   -0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9205   -1.8649   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8672   -1.8694   -0.9658 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9815   -2.6663   -0.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2220   -2.6709   -1.9790 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1010   -3.5253    0.2261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1604   -3.5046    1.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1822   -4.2761    2.3042 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1350   -3.8912    3.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8582   -4.4177    4.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3246   -3.6190    5.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9728   -4.1568    6.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2486   -5.4923    6.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9589   -6.0506    8.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8557   -6.2730    5.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1663   -7.5503    6.1990 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1482   -5.7558    4.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4095   -2.8876    2.3273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359   -2.2435    2.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2920   -0.3293    4.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9258   -2.3696    3.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8763   -3.1111    4.4551 F   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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  2  3  1  0  0  0  0
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  3  4  2  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
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  5 32  2  0  0  0  0
  6  7  2  0  0  0  0
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 22 23  1  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 23 30  2  0  0  0  0
 24 25  2  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
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 30 52  1  0  0  0  0
 32 33  1  0  0  0  0
 32 53  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
$$$$

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2026-01-24, 276👍, 0💬