Molecule FYI-1016237

A

Molecule Summary:

ID: FYI-1016237
Names:
InChIKey: MENNDDDTIIZDDN-UHFFFAOYSA-N
SMILES: Cc4cc(C)nc(SCC(=O)Nc3ncc(Cc1cccc2ccccc12)s3)n4

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

Molecule ID: FYI-1016237 Edit

Molecule Structure InChIKey: MENNDDDTIIZDDN-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(C)nc(SCC(=O)Nc3ncc(Cc1cccc2ccccc12)s3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016237
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
   11.9152    6.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    7.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    8.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    9.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904   10.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    8.6066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.5066    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    7.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    6.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    5.1066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    7.2066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    6.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    7.0760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9535    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    1.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1688    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5610    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304    2.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3076    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152    3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3458    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    5.1143    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    6.5066    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  4  2  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  2  0  0  0  0
 12 10  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 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  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
 27 26  1  0  0  0  0
 27 18  1  0  0  0  0
 27 22  2  0  0  0  0
 28 16  1  0  0  0  0
 28 13  1  0  0  0  0
 29  7  2  0  0  0  0
 29  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016237-3D
FYIcenter.com

 49 52  0     0  0  0  0  0  0999 V2000
    0.4796   -0.6792   -1.7792 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2899   -0.4473    1.2745 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2764   -3.1356    1.0224 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5573   -2.5593   -0.0069 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6562   -1.5307   -0.5929 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1824    1.2458   -0.4680 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1710    1.1165    1.7154 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9543    0.0940   -1.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8819   -0.1640   -0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2685   -1.0084   -1.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4956    0.9224    0.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6366    1.4042   -1.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9657   -1.4418   -1.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2137   -1.4763    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1637    2.2347    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2400    2.4725   -0.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4231    0.6646    1.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1376   -1.7138    1.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7412   -0.6455    1.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600   -2.4009   -0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.7044   -0.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5501   -2.2378    0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9805   -1.7665    0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534    2.1652   -0.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2731    2.0398    1.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0777    0.7768    0.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2657    2.6047    0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3261    2.7183   -2.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2428    2.4521    2.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1524    2.2685   -2.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984    2.5098   -2.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2394    2.2241    1.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3780    1.9213    3.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3148    3.5257    2.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 21  1  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 22  2  0  0  0  0
  4 20  1  0  0  0  0
  4 21  2  0  0  0  0
  5 21  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
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 10 30  1  0  0  0  0
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 11 15  1  0  0  0  0
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 17 36  1  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 22 23  1  0  0  0  0
 23 41  1  0  0  0  0
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 24 27  1  0  0  0  0
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 25 29  1  0  0  0  0
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 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
$$$$

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2025-12-09, 607👍, 0💬