Molecule FYI-1007802

A

Molecule Summary:

ID: FYI-1007802
Names:
InChIKey: RHAHHSSNAVXTQS-UHFFFAOYSA-N
SMILES: Clc4ccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)cc4

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007802 Edit

Molecule Structure InChIKey: RHAHHSSNAVXTQS-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4ccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007802
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    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 19  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
 27 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007802-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
   11.9097    4.9703   -1.6834 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2802    4.4447   -1.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6986    3.6752   -0.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3663    3.2754   -0.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5980    3.6485   -2.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    3.2638   -2.2267 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3516    3.0409   -1.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4072    2.1116   -1.3663 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5772    1.8890   -0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630    2.5458    0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6426    3.5049    0.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7639    4.2499    2.1743 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4385    5.4872    2.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2912    6.4549    1.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    7.6709    1.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8216    7.9805    2.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714    9.2002    2.4225 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9907    9.8356    3.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9909   11.3639    3.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7324   11.7462    2.2431 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1921   11.1009    1.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2408    9.5744    1.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9210    7.0331    3.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2374    5.8029    3.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4753    3.7493   -0.0489 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2168    4.3791   -3.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5485    4.7918   -2.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2634    3.3913    0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9273    2.6787   -0.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1060    2.5368   -2.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8093    1.1418   -0.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9712    2.3439    1.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9495    3.6337    2.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6463    6.2718    0.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7941    8.3967    0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0127    9.4859    3.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3714    9.6095    4.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4487   11.8674    4.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9643   11.7384    3.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7851   11.4162    0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1617   11.4447    0.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2803    9.2462    1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8658    9.1149    0.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5597    7.2172    4.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3662    5.0897    4.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6484    4.6712   -3.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    5.3933   -3.7659 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 27  2  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  2  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  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
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

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2024-03-23, 872👍, 0💬