Molecule Editor

Molecule ID: FYI-1016444 Edit

Molecule Structure InChIKey: FIKPXCOQUIZNHB-WDEREUQCSA-N

Molecule Structure SMILES String: C[C@H]4CNC(=O)c1cnn2ccc(nc12)N[C@H](C)c3cc(F)ccc3O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016444
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
    7.0597    1.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1898    2.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0161    3.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2367    5.0541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8012    6.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9897    7.0505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7339    7.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2548    8.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2051    9.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0356    8.9841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7153    9.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7217    8.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0485    7.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690    6.6971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625    7.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5364    5.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6471    3.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425    3.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822    2.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910    2.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910    0.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732    0.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732    2.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9474    2.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  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
 15 14  1  0  0  0  0
 15  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  1  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 19  1  0  0  0  0
 26 25  1  0  0  0  0
 26  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016444-3D
FYIcenter.com

 44 47  0     1  0  0  0  0  0999 V2000
   -4.2490   -1.8572   -2.2659 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3421    1.6535    0.8625 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7982    2.9093   -0.9201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5754   -2.1723    1.3675 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4373    2.0544    0.7538 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -1.6098   -0.4393 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0771   -0.7462    0.5483 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2083   -1.1691   -1.0472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5035   -1.0879    1.7086 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1777   -0.5441    0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8275    2.8805    0.3048 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0593    0.8073    0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5359    3.1722    0.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5254   -1.5923    2.7303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6639   -1.9691    0.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754   -0.5492   -0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9247   -1.4296   -0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9160    0.6170   -0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897    4.0227    0.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6990    1.2283   -1.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053    1.9693   -0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4969   -3.1672    0.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5459   -0.9960   -1.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6705   -2.9184   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4336    0.3322   -1.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0922    0.1618   -1.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9342   -0.2955    2.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6624    2.7910   -0.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9802    4.0835    0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4301    3.2830    2.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9055   -3.1235    1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.9244    3.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2318   -0.8001    3.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -2.4435    2.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0234   -2.4761   -0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9301    4.1208    1.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7823    3.8431    0.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4160    4.9742    0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2539    1.2433    1.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6574    2.2580   -1.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1349   -4.1653    0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3388   -3.7098   -0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9211    0.6765   -2.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8788    0.7473   -1.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 21  2  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  4 31  1  0  0  0  0
  5 13  1  0  0  0  0
  5 21  1  0  0  0  0
  5 39  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 24  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 26  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 11 28  1  0  0  0  0
 12 20  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 22  1  0  0  0  0
 16 18  2  0  0  0  0
 17 23  2  0  0  0  0
 17 35  1  0  0  0  0
 18 21  1  0  0  0  0
 18 26  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 25  2  0  0  0  0
 20 40  1  0  0  0  0
 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
 23 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END
$$$$