Molecule FYI-1007857

A

Molecule Summary:

ID: FYI-1007857
Names:
InChIKey: FJNFDAKKGNAZEM-UHFFFAOYSA-N
SMILES: Clc4cccc(Nc3nccc(Nc1ccccc1CN2CCOCC2)n3)c4

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007857 Edit

Molecule Structure InChIKey: FJNFDAKKGNAZEM-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4cccc(Nc3nccc(Nc1ccccc1CN2CCOCC2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007857
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.9120    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 N   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
    6.0623    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
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4249    0.7000    0.0000 C   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
    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 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
    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 C   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
    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  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  6  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 22  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
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007857-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    7.3987   -1.1781   -7.1310 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4006   -0.9985   -5.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4638   -0.3526   -4.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4713   -0.2210   -3.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4124   -0.7338   -2.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3294   -1.3748   -3.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2728   -1.9307   -2.5461 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0641   -2.1526   -1.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8496   -2.6603   -0.9176 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5894   -2.9604    0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4948   -2.7563    1.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -2.1965    1.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5392   -1.8181    2.1211 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9452   -1.6625    2.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6967   -0.8433    1.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0455   -0.5684    1.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6648   -1.1049    2.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9235   -1.8859    3.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5613   -2.1462    3.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7812   -2.9068    4.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4247   -2.0897    5.6803 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7591   -2.9086    6.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2947   -3.2582    6.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5120   -2.0816    6.1656 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0764   -1.2765    5.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5536   -0.9336    5.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0036   -1.8944   -0.2531 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3396   -1.5056   -4.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2921    0.0395   -5.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2965    0.2734   -2.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4445   -0.6069   -1.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4613   -2.2378   -3.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6047   -3.3750    0.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9174   -3.4150    4.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7749   -2.3285    7.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2124   -3.9295    5.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4946   -0.3494    5.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9344   -1.7886    4.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5914   -0.2772    6.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9483   -0.3244    4.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5261   -2.0200   -5.1725 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 28  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
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 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$

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2024-03-23, 131👍, 0💬