Molecule FYI-1001059

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A

Molecule Summary:

ID: FYI-1001059
SMILES: CC1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl

Received at FYIcenter.com on: 2021-11-23

Molecule ID: FYI-1001059 Edit

Molecule Structure SMILES String: CC1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001059
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
    3.4419    1.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7452    2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7715    1.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1558    1.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8558    2.5728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3444    3.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0066    4.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 N   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
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    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0799    6.4229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2519    2.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9879    1.2772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3480    1.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4526    3.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1572    3.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8707    2.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7661    1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5047    0.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9228    0.6392    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  6  5  1  0  0  0  0
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 22 18  1  0  0  0  0
 23  5  1  0  0  0  0
 24 23  2  0  0  0  0
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 27 23  1  0  0  0  0
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 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 25  1  0  0  0  0
 32 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001059-3D
FYIcenter.com

 55 59  0  0  1  0  0  0  0  0999 V2000
    1.1829    0.1375    0.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583   -0.0673    0.2722 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2874    1.2748   -0.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8190    1.3571   -0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5217    0.7838   -1.1974 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3119   -0.6229   -1.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4779   -1.4849   -0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297   -1.1923   -0.6271 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2305   -2.0909   -1.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7184   -3.0634   -1.9638 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7871   -1.8539   -1.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2339   -2.8221   -1.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5464   -2.4843   -1.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8584   -1.1987   -2.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8548   -0.2450   -2.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736   -0.6096   -2.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1869    1.1764   -2.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0629   -4.1417   -1.0627 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163   -4.5060   -0.1931 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108   -5.7779    0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615   -6.1434   -0.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0233   -5.1002   -1.2864 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6899    1.3808   -1.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3657    2.3540   -1.0057 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497    2.5651   -1.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2590    0.9350   -2.7575 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2894    1.6732   -3.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3540    2.5825   -3.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5313    3.4529   -1.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 35  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
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 25 26  2  0  0  0  0
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 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 55  1  0  0  0  0
M  END
$$$$

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