Molecule Editor

Molecule ID: FYI-1007863 Edit

Molecule Structure InChIKey: AHTCLNXNCQZENH-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4ccc(Nc3nccc(Nc1ccccc1CN2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007863
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   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
    3.6374    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 N   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
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
  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 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-1007863-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   -7.6179    8.4840    3.5853 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    7.2553    3.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1293    6.7714    2.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6293    5.4963    1.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1143    4.6921    2.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4950    3.4494    2.6118 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3228    2.8424    1.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5052    1.5196    1.3023 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5904    0.9943    0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5035    1.7454   -1.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2481    3.0921   -0.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9959    3.8870   -2.0808 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4204    5.2444   -2.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0098    6.2855   -1.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3996    7.6101   -1.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2202    7.9162   -2.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5957    6.9052   -3.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1749    5.5744   -3.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4518    4.5525   -4.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5271    4.6446   -5.6602 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8696    3.6472   -6.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4005    2.2163   -6.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9949    2.1608   -6.1144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6266    3.0522   -5.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0944    4.4922   -5.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0865    3.6147    0.2905 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1446    5.2066    4.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6674    6.4795    4.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4899    7.3755    1.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6604    5.1521    0.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7050    2.7361    3.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7559   -0.0787    0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6310    1.2964   -2.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9775    3.9751   -2.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3534    6.0834   -0.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0495    8.4084   -1.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5367    8.9413   -2.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1893    7.1597   -4.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4664    4.7605   -4.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5022    3.5435   -4.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3870    3.9672   -7.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9477    3.6515   -6.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5866    1.5767   -7.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9479    1.7857   -5.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5325    3.0389   -4.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0069    2.6579   -4.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5318    4.8612   -6.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7886    5.1466   -4.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7426    4.6281    4.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6923    6.8809    5.4071 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  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$