Molecule FYI-1007804

A

Molecule Summary:

ID: FYI-1007804
Names:
InChIKey: LNAZEWCBHPTKCR-UHFFFAOYSA-N
SMILES: Clc4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)c4

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

Molecule ID: FYI-1007804 Edit

Molecule Structure InChIKey: LNAZEWCBHPTKCR-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007804
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.0623    4.9000    0.0000 Cl  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
    4.8499    7.0000    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  6  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-1007804-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    8.5808   -6.8291   -4.6006 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5051   -5.6943   -3.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4297   -5.7744   -2.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3723   -4.8492   -1.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3768   -3.8677   -1.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4038   -3.8017   -2.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3590   -2.8588   -2.2539 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7888   -2.1527   -1.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5118   -1.7779   -1.3449 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162   -1.2117   -0.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5422   -1.0090    0.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8672   -1.3711    0.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5950   -1.1535    2.1790 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0050   -1.1220    2.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7777   -0.4591    1.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1727   -0.3960    1.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8569   -0.9974    2.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2300   -0.9326    2.6044 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0335    0.1864    2.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9648   -0.2785    0.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7719   -1.3961    1.3706 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9298   -2.5006    1.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0040   -2.1447    2.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0720   -1.6591    3.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6712   -1.7104    3.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4777   -1.9308   -0.0662 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5091   -4.7135   -3.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1957   -6.5446   -2.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0913   -4.8841   -0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3853   -3.1578   -0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6358   -3.0078   -2.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8809   -0.9202   -0.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0302   -0.5562    1.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1634   -1.6551    2.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2957    0.0219    0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7131    0.1162    0.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6476    0.5532    2.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4249    1.0345    1.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6462    0.5337    0.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3993   -0.5572    0.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5825   -3.3330    2.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3508   -2.8130    0.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6099   -1.9381    3.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3706   -3.0107    3.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5488   -2.1147    4.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1199   -2.2262    4.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7989   -4.6772   -4.1241 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  2  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  2  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  2  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 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1108👍, 0💬