Molecule FYI-1015796

A

Molecule Summary:

ID: FYI-1015796
Names:
InChIKey: LNLLQKYPLVKCPB-UHFFFAOYSA-N
SMILES: CCC#Cc3cncc(c2nnc(SCc1ccc(Cl)cc1)n2C)c3

Received at FYIcenter.com on: 2025-10-14

Molecule ID: FYI-1015796 Edit

Molecule Structure InChIKey: LNLLQKYPLVKCPB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC#Cc3cncc(c2nnc(SCc1ccc(Cl)cc1)n2C)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015796
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.3806    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.2709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3598    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    5.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3215    7.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7139    7.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1062    7.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4985    7.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0679    8.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4987    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1063    8.1739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5369    6.8950    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  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 12 11  1  0  0  0  0
 12  6  2  0  0  0  0
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 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  2  1  0  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  3  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015796-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
   -0.6458   -0.4061    2.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7323   -0.3280    1.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6732    0.3948    2.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    1.0059    2.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2825    1.7301    3.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2655    1.0840    4.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0556    1.7108    5.4896 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.0417    5.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9462    3.8102    4.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7781    5.2620    5.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6317    5.9121    4.9852 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8403    7.2462    5.2451 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1169    7.4099    5.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9004    8.9152    5.8470 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    9.9090    6.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0034   11.3086    6.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8693   12.3748    6.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3695   13.6453    6.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0007   13.8625    7.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6653   15.4089    7.9018 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1098   12.8284    8.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6138   11.5577    8.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    6.2024    5.3811 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1810    5.9507    5.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1283    3.1121    4.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3377   -0.9451    1.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0562    0.5940    2.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6108   -0.9293    2.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6564    0.1759    0.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1033   -1.3423    1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    0.0175    4.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4581    3.4623    6.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1594    9.4119    7.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7035    9.9696    5.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3834   12.2238    5.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2734   14.4570    5.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5898   13.0001    9.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7181   10.7583    8.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7475    6.8732    5.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4900    5.4594    4.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3874    5.3153    6.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3618    3.6406    3.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  2  0  0  0  0
  6  7  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-14, 823👍, 0💬