Molecule FYI-1007811

A

Molecule Summary:

ID: FYI-1007811
Names:
InChIKey: DMMSQFUXZQNGAG-UHFFFAOYSA-N
SMILES: Fc4ccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)cc4

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

Molecule ID: FYI-1007811 Edit

Molecule Structure InChIKey: DMMSQFUXZQNGAG-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4ccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007811
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 F   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
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    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
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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  5  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-1007811-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
  -11.5144   -2.9620   -2.9254 F   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7893   -1.8365   -2.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6516   -1.7319   -2.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8820   -0.5699   -2.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2353    0.4825   -3.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4629    1.6519   -3.1986 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0700    1.7202   -3.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3359    0.6513   -3.4554 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0038    0.7669   -3.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3746    1.9033   -2.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1969    2.9623   -2.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5791    4.1691   -2.2013 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1808    5.4408   -2.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8876    6.3557   -1.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4741    7.6281   -1.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3467    8.0444   -2.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8475    9.3275   -2.2149 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2752    9.9928   -3.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8730   11.4748   -3.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4386   12.1075   -2.1978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0001   11.4409   -0.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3907    9.9542   -1.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6137    7.1227   -3.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0438    5.8454   -3.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5392    2.8776   -2.6989 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4188    0.3766   -3.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1853   -0.7907   -3.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3606   -2.5530   -1.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9892   -0.4981   -1.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8507    2.4609   -2.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4404   -0.1104   -3.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2980    1.9702   -2.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9519    4.0126   -1.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2032    6.0980   -0.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1932    8.3169   -0.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3632    9.9015   -3.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8012    9.5650   -4.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2276   12.0152   -4.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7808   11.5753   -3.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4651   11.9487   -0.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9131   11.5557   -0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4843    9.8629   -1.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0439    9.4844   -0.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2864    7.3708   -4.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2740    5.1700   -4.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7195    1.1849   -4.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0771   -0.8952   -4.3956 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 27  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  1  0  0  0  0
  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  2  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  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 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 170👍, 0💬