Molecule FYI-1016137

A

Molecule Summary:

ID: FYI-1016137
Names:
InChIKey: PQEIMHBVHXTVNA-UHFFFAOYSA-N
SMILES: N#CCN5CCC(n4c(=O)cnc3cnc2ccc(c1ccc(N)nc1)cc2c34)CC5

Received at FYIcenter.com on: 2025-11-25

Molecule ID: FYI-1016137 Edit

Molecule Structure InChIKey: PQEIMHBVHXTVNA-UHFFFAOYSA-N

Molecule Structure SMILES String: N#CCN5CCC(n4c(=O)cnc3cnc2ccc(c1ccc(N)nc1)cc2c34)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1016137
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    7.2746    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   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
    2.4249    0.0000    0.0000 N   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
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  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  2  0  0  0  0
 19 18  1  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  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26 20  1  0  0  0  0
 27 19  2  0  0  0  0
 28 27  1  0  0  0  0
 28 16  1  0  0  0  0
 29 28  2  0  0  0  0
 29 13  1  0  0  0  0
 29  8  1  0  0  0  0
 30  7  1  0  0  0  0
 31 30  1  0  0  0  0
 31  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016137-3D
FYIcenter.com

 52 56  0     0  0  0  0  0  0999 V2000
   -3.7001   -2.4766   -0.4124 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3396   -3.7830   -0.1740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3756   -0.5340   -0.2190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8660    0.7538    0.1285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7115    3.6675    0.4040 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9290   -6.1136    1.8073 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8876    2.2931    0.4863 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406    0.8071   -0.3722 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1635   -1.2857   -0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4113   -2.4852   -1.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5732   -1.7504    0.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1534   -3.3438   -1.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6566   -2.6341    0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3886    0.8956   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116   -4.6442   -0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5626   -1.2698   -0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2301    1.7689    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6651    1.4682    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8237   -0.5155   -0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4876    3.1543    0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1523    1.4283   -0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7591    2.8338    0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7429   -5.4636    0.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855    2.3680    0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4468    4.0757    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8840    3.6993    0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648    1.9466   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9113    0.8383   -0.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5812    2.6337    0.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2450    0.4566   -0.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1863    1.2105   -0.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4847   -0.7057   -1.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6198   -2.7778   -2.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4085   -4.0656   -0.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3515   -5.3433   -1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7477   -1.1151   -0.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4816    0.4071   -0.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6694    5.1321    0.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6389    4.4786    0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1805    0.2618   -1.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4007    3.4923    1.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5238   -0.4035   -1.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7402   -0.1715   -0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2243    1.3566    0.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 14  1  0  0  0  0
  3 16  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  2  0  0  0  0
  5 20  2  0  0  0  0
  5 22  1  0  0  0  0
  6 23  3  0  0  0  0
  7 29  1  0  0  0  0
  7 31  2  0  0  0  0
  8 31  1  0  0  0  0
  8 51  1  0  0  0  0
  8 52  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
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 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 43  1  0  0  0  0
 20 25  1  0  0  0  0
 21 24  2  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
$$$$

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