Molecule FYI-1014461

A

Molecule Summary:

ID: FYI-1014461
Names:
InChIKey: HQDJNSUBJDZLSH-UHFFFAOYSA-N
SMILES: Cc4cccc(N3CCN(C(=O)c2c[nH]n1c(=O)c(=O)[nH]c1n2)CC3)c4C

Received at FYIcenter.com on: 2025-04-20

Molecule ID: FYI-1014461 Edit

Molecule Structure InChIKey: HQDJNSUBJDZLSH-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cccc(N3CCN(C(=O)c2c[nH]n1c(=O)c(=O)[nH]c1n2)CC3)c4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014461
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   13.2538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2538    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6165    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6165    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1916    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1916    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    6.0326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    3.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7902    2.4359    0.0000 O   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  2  0  0  0  0
  6  5  1  0  0  0  0
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  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  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  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 26 20  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014461-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
   -1.0803    1.9353    1.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8232    0.8529    0.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8770    1.1955   -0.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6956    0.2259   -1.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5030   -1.1020   -1.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4822   -1.5084   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927   -2.8722    0.3026 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1082   -3.7901   -0.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4158   -5.1554   -0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2387   -5.7210    0.6429 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3723   -6.9507    0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4274   -7.2398    1.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2266   -7.9554   -0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6185   -8.8978   -1.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2070   -9.8464   -1.9427 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0381   -9.5911   -2.4961 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6873  -10.3198   -3.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3175  -11.2533   -4.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1082   -9.6760   -3.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0173   -9.9606   -4.1916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1002   -8.7341   -2.4601 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8751   -8.6950   -1.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5620   -7.9029   -0.9235 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3801   -4.7729    1.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470   -3.4469    0.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5830   -0.4966    0.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5611   -0.8039    2.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3053    2.8941    1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2029    2.0837    2.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9459    1.6732    2.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0744    2.2203   -1.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7366    0.4928   -2.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9187  -10.1737   -2.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3618   -4.5842    2.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4692   -3.6454    0.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365   -2.7781    1.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579   -1.7838    2.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5725   -0.7525    2.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0802   -0.0848    2.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  2  0  0  0  0
  3  4  2  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 949👍, 0💬