Molecule Editor

Molecule ID: FYI-1004177 Edit

Molecule Structure InChIKey: PGXDTVQNUCGXDO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ncc(c3nc(Nc2ccc(C(=O)NCCN1CCCCC1)cc2)ncc3F)n4C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004177
FYIcenter.com

 34 37  0  0  0  0  0  0  0  0999 V2000
   13.0264    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8493    1.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2493    1.1327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6819    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4165    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0851    2.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7941    4.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0447    1.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.4870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    5.3870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.4870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.3870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.6870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.6870    0.0000 F   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
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  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
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33 28  1  0  0  0  0
 34 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004177-3D
FYIcenter.com

 66 69  0     0  0  0  0  0  0999 V2000
   -6.8787    0.0943    0.0597 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066    0.9650    1.8361 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459   -0.5108   -0.5470 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0849    1.5951   -0.3202 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2317   -2.2410   -0.1416 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3022   -3.1021    1.9042 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3291    0.8475    0.2119 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103    2.8502   -0.2666 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5416    2.8040   -0.5018 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5223   -0.7055    0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4631   -1.6993   -1.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0169   -1.0000    0.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9559   -2.0261   -1.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4242   -2.2026    0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7244   -0.1839   -0.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4790    1.2562   -0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1273   -2.1831   -1.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1997    1.4189    0.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4011   -1.1816    0.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1779   -3.3725    0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4038   -1.6266   -2.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9026   -1.3795   -2.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.7934    0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4417   -1.7379    1.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5053    0.1901    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9986   -4.7156    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7577    1.1730    1.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870    2.7646   -0.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7237    0.7637   -0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8686    2.4946   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5696    1.5235    0.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1597    3.1151   -0.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4192    2.1323   -0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6805    2.0866   -0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9474   -1.5271    1.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3223    0.1901    1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2017   -1.5208   -2.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8804   -2.5662   -1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5948   -0.1211    0.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2638   -1.1871    2.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1593   -2.9401   -1.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5291   -1.2194   -1.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9794   -3.1127    0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5116   -2.3319    0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3946   -0.2762   -1.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1035   -0.8811   -0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8003    1.4504    0.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0205    1.9480   -0.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7519    1.9102   -1.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9981   -3.2051   -1.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4315   -0.5362   -2.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3049   -1.9938   -1.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4582   -1.9535   -3.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0681   -0.3006   -2.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6519   -1.6408   -3.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0251   -1.6028   -1.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5640   -1.2297    2.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9829   -5.4756    0.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -4.9634   -0.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0506   -4.7865   -0.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9710    0.4174    1.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2581    3.2937   -1.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3336    1.0459    1.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0604    3.8776   -1.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3286    3.7633   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5882    2.6219   -0.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 18  2  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 18  1  0  0  0  0
  4 49  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 20  2  0  0  0  0
  6 24  1  0  0  0  0
  7 25  2  0  0  0  0
  7 33  1  0  0  0  0
  8 30  1  0  0  0  0
  8 33  1  0  0  0  0
  8 65  1  0  0  0  0
  9 33  2  0  0  0  0
  9 34  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 50  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
 24 57  1  0  0  0  0
 25 29  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 31  1  0  0  0  0
 27 61  1  0  0  0  0
 28 32  2  0  0  0  0
 28 62  1  0  0  0  0
 29 34  2  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 63  1  0  0  0  0
 32 64  1  0  0  0  0
 34 66  1  0  0  0  0
M  END
$$$$