Molecule FYI-1007908

A

Molecule Summary:

ID: FYI-1007908
Names:
InChIKey: KELCBWRZPLQKAX-UHFFFAOYSA-N
SMILES: Fc4ccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2Cl)n3)cc4

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

Molecule ID: FYI-1007908 Edit

Molecule Structure InChIKey: KELCBWRZPLQKAX-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4ccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2Cl)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007908
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 F   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
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 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
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 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-1007908-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
  -12.5558   -2.1380   -0.3660 F   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7284   -1.1903   -0.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3830   -1.2382   -0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5182   -0.2614   -0.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9907    0.7558   -1.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1479    1.7548   -2.3410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7917    1.6171   -2.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3065    0.4342   -3.0497 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9943    0.3649   -3.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1406    1.4271   -3.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7193    2.6149   -2.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8921    3.7605   -2.6434 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4034    5.0841   -2.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3932    5.4954   -3.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9885    6.7547   -3.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6032    7.6431   -2.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2846    8.9829   -2.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4315    9.0838   -1.3161 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2454    8.6533    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6438    7.1934    0.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9496    6.8773   -0.1356 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0418    7.1532   -1.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7235    8.6241   -1.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0373    2.7119   -2.5105 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3619    0.8123   -2.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2279   -0.1701   -1.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0116   -2.0342    0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.0716    6.9382   -1.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3928    6.4679   -2.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4902    9.2299   -1.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8308    8.8388   -2.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.7534    1.6020   -2.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2834   -0.1502   -1.8712 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
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 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
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 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
 17 38  1  0  0  0  0
 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
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 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, 154👍, 0💬