Molecule FYI-1007874

A

Molecule Summary:

ID: FYI-1007874
Names:
InChIKey: CPRVFOQCBOZSFW-UHFFFAOYSA-N
SMILES: Brc4ccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2)n3)cc4

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007874 Edit

Molecule Structure InChIKey: CPRVFOQCBOZSFW-UHFFFAOYSA-N

Molecule Structure SMILES String: Brc4ccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007874
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    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
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007874-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   14.1244    2.5302   -0.0612 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.9837    1.1756   -0.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6476    1.1498   -0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7996    0.1654   -0.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708   -0.7882   -1.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417   -1.7904   -2.2990 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0779   -1.6621   -2.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5813   -0.4622   -2.9260 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2668   -0.3819   -3.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4238   -1.4561   -3.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0079   -2.6615   -2.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1463   -3.7826   -2.5507 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5478   -5.1381   -2.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9895   -6.0400   -1.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4346   -7.3693   -1.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4218   -7.8397   -2.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0941   -9.1782   -2.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5432  -10.4022   -2.7900 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5092  -10.5197   -4.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770  -10.1029   -4.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0541  -10.7387   -4.2637 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0318  -10.4728   -2.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3271  -10.9377   -2.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8980   -6.9637   -3.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4685   -5.6300   -3.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3316   -2.7724   -2.4866 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6305   -0.7782   -2.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4825    0.2112   -1.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2504    1.8909    0.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7577    0.1600   -0.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5782   -2.7023   -1.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9054    0.6016   -3.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3651   -1.3590   -3.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5023   -3.5812   -1.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2448   -5.7074   -0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0420   -8.0191   -0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1942   -9.3117   -1.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1363   -9.0907   -2.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6609  -11.5845   -4.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3489   -9.9965   -4.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1736  -10.4192   -5.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0387   -9.0176   -4.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1876  -11.0290   -2.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8376   -9.4098   -2.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3802  -12.0301   -2.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2968  -10.7497   -1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6559   -7.2893   -4.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8843   -4.9629   -4.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0232   -1.5178   -2.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5243    0.2268   -1.9012 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 28  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  2  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
  7 26  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  2  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 152👍, 0💬