Molecule FYI-1016658

A

Molecule Summary:

ID: FYI-1016658
Names:
InChIKey: MXCIPAARXBPLNC-UHFFFAOYSA-N
SMILES: Nc6cc4[nH]c2c(cc(N)c3c(=O)c1ccccc1c(=O)c23)[nH]c4c7c(=O)c5ccccc5c(=O)c67

Received at FYIcenter.com on: 2026-02-06

Molecule ID: FYI-1016658 Edit

Molecule Structure InChIKey: MXCIPAARXBPLNC-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc6cc4[nH]c2c(cc(N)c3c(=O)c1ccccc1c(=O)c23)[nH]c4c7c(=O)c5ccccc5c(=O)c67

Download SDF Download SVG Structure in 2D SDF:

FYI-1016658
FYIcenter.com

 36 42  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   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  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 21  1  0  0  0  0
  6 18  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 19 22  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 23 29  1  0  0  0  0
 22 26  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 27 30  1  0  0  0  0
 26 34  2  0  0  0  0
 29 35  2  0  0  0  0
 24 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016658-3D
FYIcenter.com

 52 58  0     0  0  0  0  0  0999 V2000
   -3.1710    2.2628   -0.0092 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1711   -2.2628   -0.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5556   -2.5119   -0.0080 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5553    2.5121   -0.0024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7100    1.1730   -0.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100   -1.1730   -0.0026 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3295   -3.8063   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    3.8065   -0.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453   -0.0319   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4454    0.0318   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6990   -1.2386   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6991    1.2386   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8554   -0.0841   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8555    0.0840   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4942   -1.3325   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4943    1.3325   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3538   -2.4702   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539    2.4701   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448   -2.5174   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450    2.5174   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6852    1.1510   -0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6852   -1.1511   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9692   -1.4365   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9691    1.4365   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1582    1.0425    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1582   -1.0425    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7780   -0.2055    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    0.2055    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9388    2.2061    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9389   -2.2060    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1759   -0.2942    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1758    0.2941    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3312    2.1152    0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3312   -2.1152    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9487   -0.8668    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2191   -2.0464   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7709   -3.3891   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7709    3.3889   -0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4832   -3.1927    0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6840   -1.2548    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6838    1.2548    0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3325   -3.9223   -0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7377    4.6274   -0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3321    3.9228   -0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9337    3.0189    0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9338   -3.0189    0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0327    0.7974    0.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0327   -0.7973    0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2 22  2  0  0  0  0
  3 23  2  0  0  0  0
  4 24  2  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 37  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 38  1  0  0  0  0
  7 19  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8 20  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  2  0  0  0  0
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 14 16  2  0  0  0  0
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 15 19  1  0  0  0  0
 15 23  1  0  0  0  0
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 17 19  2  0  0  0  0
 17 39  1  0  0  0  0
 18 20  2  0  0  0  0
 18 40  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 27  1  0  0  0  0
 25 29  2  0  0  0  0
 26 28  1  0  0  0  0
 26 30  2  0  0  0  0
 27 31  2  0  0  0  0
 28 32  2  0  0  0  0
 29 33  1  0  0  0  0
 29 41  1  0  0  0  0
 30 34  1  0  0  0  0
 30 42  1  0  0  0  0
 31 35  1  0  0  0  0
 31 43  1  0  0  0  0
 32 36  1  0  0  0  0
 32 44  1  0  0  0  0
 33 35  2  0  0  0  0
 33 49  1  0  0  0  0
 34 36  2  0  0  0  0
 34 50  1  0  0  0  0
 35 51  1  0  0  0  0
 36 52  1  0  0  0  0
M  END
$$$$

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