Molecule FYI-1007899

A

Molecule Summary:

ID: FYI-1007899
Names:
InChIKey: IBMYTTUINFZRRE-UHFFFAOYSA-N
SMILES: Clc4ccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2Cl)n3)cc4

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007899 Edit

Molecule Structure InChIKey: IBMYTTUINFZRRE-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4ccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2Cl)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007899
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   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
    1.2125    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   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
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  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
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  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
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007899-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   13.4593   -2.3293    0.8600 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.3541   -1.1018    1.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0240   -1.1766    0.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1223   -0.1962    1.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5350    0.8570    2.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6484    1.8505    2.6283 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2859    1.6753    2.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8291    0.4892    3.3164 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5112    0.3830    3.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6288    1.4126    3.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1806    2.6077    2.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3276    3.7281    2.7684 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8089    5.0620    2.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7703    5.4949    3.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3511    6.7596    3.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9766    7.6367    2.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6450    8.9837    2.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8210    9.0889    1.5115 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6842    8.6612    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1265    7.2138   -0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4214    6.9223    0.3662 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4572    7.1848    1.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000    8.6462    2.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9336    7.2518    1.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3496    5.9847    1.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0713    5.5692    0.6753 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5019    2.7396    2.7032 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8878    0.9452    2.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7930   -0.0401    2.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6754   -1.9953    0.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0860   -0.2684    1.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7568    2.7414    2.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1824   -0.5856    3.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730    1.2986    3.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6615    3.5450    2.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0931    4.8246    4.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8943    9.3605    3.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8931    9.6956    2.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3387    9.3203   -0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6732    8.8389   -0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000    7.0744   -1.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4070    6.4797    0.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4795    6.9858    2.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8014    6.4810    2.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8731    9.2708    1.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1638    8.8506    3.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5813    7.9442    0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2346    1.7637    3.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8309    0.0205    2.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  2  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  2  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  2  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  1  0  0  0  0
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 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
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 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

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2024-04-14, 149👍, 0💬