Molecule FYI-1007810

A

Molecule Summary:

ID: FYI-1007810
Names:
InChIKey: MSIMEHKJNOYTEY-UHFFFAOYSA-N
SMILES: Fc1ccccc1Nc4nccc(Nc3ccc(N2CCOCC2)cc3)n4

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007810 Edit

Molecule Structure InChIKey: MSIMEHKJNOYTEY-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc1ccccc1Nc4nccc(Nc3ccc(N2CCOCC2)cc3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007810
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    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  7  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 19  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
 27 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007810-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    5.0199   -4.7270   -0.0776 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8990   -4.7468   -1.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9395   -5.6678   -1.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8448   -5.7789   -2.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916   -4.9772   -3.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6483   -4.0482   -3.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7644   -3.8817   -2.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7447   -2.9109   -2.3099 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1888   -2.2257   -1.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9124   -1.8267   -1.3641 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3373   -1.2933   -0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9805   -1.1351    0.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3081   -1.5356    0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0468   -1.3321    2.1368 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4431   -1.1709    2.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1789   -0.4961    1.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5729   -0.3849    1.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2770   -0.9864    2.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6512   -0.9399    2.5094 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4460    0.1713    1.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3975   -0.3090    0.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1932   -1.4261    1.3082 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3425   -2.5267    1.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4050   -2.1592    2.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5260   -1.6454    3.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1286   -1.7303    3.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9030   -2.0409   -0.1179 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0291   -6.2899   -0.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6600   -6.4940   -2.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3921   -5.0667   -4.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5616   -3.4138   -4.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9540   -3.2281   -2.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958   -1.0015   -0.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725   -0.7058    1.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5439   -1.5215    2.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6719   -0.0333    0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0979    0.1360    0.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0380    0.5686    2.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8273    0.9974    1.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0847    0.5004    0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8481   -0.5914   -0.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9886   -3.3592    1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7754   -2.8436    0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9960   -1.9624    3.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7527   -3.0152    3.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0357   -2.0992    4.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5989   -2.2617    4.1131 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  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 30  1  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
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  2  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  2  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 1650👍, 0💬