Molecule FYI-1001336

Home > Molecule

A

Molecule Summary:

ID: FYI-1001336
SMILES: Fc1ccc(c(C(NOCC2CC2)=NC(=O)Cc2ccccc2)c1F)C(F)(F)F

Received at FYIcenter.com on: 2022-05-23

Molecule ID: FYI-1001336 Edit

Molecule Structure SMILES String: Fc1ccc(c(C(NOCC2CC2)=NC(=O)Cc2ccccc2)c1F)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001336
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.9000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1249    0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5749    0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5749    2.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    2.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    4.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5749    4.9507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5749    6.3651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7999    7.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7999    8.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0926    9.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5071    9.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1249    4.9507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8019    2.9760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    4.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500    4.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    4.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    2.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500    2.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1249    2.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0961    2.5347    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7999    2.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0926    4.0539    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0249    3.5362    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5071    1.6039    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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 11  1  0  0  0  0
 14  7  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24  6  2  0  0  0  0
 24  2  1  0  0  0  0
 25 24  1  0  0  0  0
 26  5  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001336-3D
FYIcenter.com

 46 48  0  0  0  0  0  0  0  0999 V2000
    0.8146   -1.4415    1.6595 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022   -0.7224    0.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9099   -1.3864    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7710   -0.6428   -0.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7129    0.7734   -0.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7555    1.4400    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6251    2.9471    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5882    3.5706    0.3216 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329    2.9445   -0.1895 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8444    3.7168    0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1254    3.0443   -0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5388    1.7715    0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3014    3.0416    0.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7295    3.6193   -0.1177 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6918    4.9994   -0.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6970    5.6566   -0.4596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9783    5.6842    0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759    6.0677    1.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4432    7.2967    2.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4258    7.6306    3.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9305    6.7434    4.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4515    5.5177    4.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4740    5.1801    2.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0723    0.6709    0.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9270    1.2448    1.7419 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6772    1.4950   -1.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3890    0.6230   -2.4601 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6352    2.2123   -1.0293 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0661    2.3281   -2.5619 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9521   -2.4726    0.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4932   -1.1759   -1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5545    4.5650    0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7635    3.8353    1.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8160    4.7118   -0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3334    3.1399   -1.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0041    1.0045    0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9020    1.3872    1.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2980    3.1259    0.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1967    3.4998    1.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8340    5.0390    0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1037    6.5791   -0.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0369    7.9994    1.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0116    8.5852    3.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9119    7.0034    5.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8406    4.8211    4.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8774    4.2157    2.3907 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 24  2  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  3  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-01, 2045👍, 0💬