Molecule Editor

Molecule ID: FYI-1004301 Edit

Molecule Structure InChIKey: SZDDSQCKMCJPIC-UHFFFAOYSA-N

Molecule Structure SMILES String: C=S(=O)(c1ccccc1NC(=O)n4nc(Nc3ccc(N2CCN(C)CC2)cc3OC)nc4N)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004301
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
    2.8773   12.0806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2220   10.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6215   10.7609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9762   12.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2420   12.3501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3772    9.6073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8177   14.3391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6535    8.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6030    7.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    5.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2060    5.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2564    6.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9802    7.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4822    4.1174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    3.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080    1.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0347    1.3725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0852    2.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8089    3.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4814   13.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6649   12.2535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5371   14.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2763    7.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6092   10.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3698   10.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3141    8.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4976    8.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7370    8.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7928   10.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0321   10.7580    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2157   10.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0879   12.1569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3201   11.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4393   10.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4890   12.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  2  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 17 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  9 24  1  0  0  0  0
 24 25  1  0  0  0  0
 22 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004301-3D
FYIcenter.com

 71 74  0  0  0  0  0  0  0  0999 V2000
    4.0990   -4.2423   -4.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350   -3.0736   -3.9154 S   0  0  3  0  0  0  0  0  0  0  0  0
    1.9931   -3.9028   -3.2065 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5358   -1.9733   -2.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6160   -1.1815   -3.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2193   -0.2698   -2.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7463   -0.1313   -1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6737   -0.9157   -0.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0484   -1.8491   -1.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135   -2.6713   -0.8969 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1748   -2.2846    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0732   -1.1773    0.6529 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3296   -3.3049    0.6015 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100   -4.6079    0.6738 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1259   -5.0702    1.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0731   -6.2305    2.2927 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003   -7.4721    1.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3113   -7.7521    0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7390   -8.9653   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735   -9.9610    0.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5813  -11.2096    0.2458 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9366  -11.7293   -0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6842  -13.2433   -0.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9168  -13.9942   -0.4714 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110  -15.4083   -0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5266  -13.4198    0.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8171  -11.9073    0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4017   -9.6643    2.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9499   -8.4559    2.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980   -8.3782    4.0089 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689   -7.6811    4.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1427   -4.2283    1.9550 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8663   -3.1404    1.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6017   -2.0077    1.2653 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898   -2.4619   -5.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308   -1.4552   -4.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8574   -1.8651   -6.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9526   -4.4713   -3.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0254   -4.7658   -5.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0094   -1.2806   -4.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    0.3234   -2.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2207    0.5622   -0.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3765   -0.8073    0.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7630   -3.4993   -1.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8320   -6.3493    2.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1119   -7.0229   -0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6522   -9.1063   -1.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5683  -11.5358   -1.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0386  -11.2591   -1.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2492  -13.6244   -1.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0639  -13.3831   -0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1837  -15.8318   -1.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9031  -15.5740    0.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5261  -15.9707   -0.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4685  -13.9355    0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8600  -13.5732    1.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755  -11.7410   -0.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458  -11.5450    1.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8095  -10.4103    2.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240   -8.0083    5.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7669   -7.9179    4.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4590   -6.6051    4.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3470   -1.9436    1.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1046   -1.1257    1.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4773   -3.3351   -5.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3838   -0.5302   -4.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2919   -1.8609   -4.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2856   -1.1906   -5.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3593   -0.9487   -6.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2482   -1.6144   -7.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296   -2.5677   -6.6806 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  2  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  2  0  0  0  0
 18 19  2  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  2  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 29  1  0  0  0  0
 28 59  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 65  1  0  0  0  0
 36 66  1  0  0  0  0
 36 67  1  0  0  0  0
 36 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
M  END
$$$$