Molecule FYI-1007873

A

Molecule Summary:

ID: FYI-1007873
Names:
InChIKey: BUJMDUBVEAANAS-UHFFFAOYSA-N
SMILES: Clc4ccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2)n3)cc4

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

Molecule ID: FYI-1007873 Edit

Molecule Structure InChIKey: BUJMDUBVEAANAS-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4ccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007873
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 Cl  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-1007873-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   13.2229   -2.6183    1.0112 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1641   -1.3544    1.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8579   -1.3230    1.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9896   -0.3160    1.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4101    0.6579    2.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5566    1.6763    2.8267 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1751    1.5721    3.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6366    0.3867    3.3468 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3071    0.3344    3.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4910    1.4173    3.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1185    2.6061    2.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2992    3.7427    2.7319 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7364    5.0866    2.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2756    6.0025    1.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7566    7.3199    1.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6833    7.7637    2.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3879    9.0949    2.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8201   10.3111    3.1539 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6987   10.3829    4.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3336    9.9401    5.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2461   10.5939    4.4919 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3072   10.3779    3.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6388   10.8668    2.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0659    6.8724    3.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    5.5520    3.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4561    2.6894    2.8425 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7450    0.6426    2.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6149   -0.3699    2.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5025   -2.0799    0.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9717   -0.3066    1.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7428    2.5862    2.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9077   -0.6355    3.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4190    1.3441    3.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7102    3.5512    1.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5778    5.6893    1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370    7.9829    0.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5536    9.2558    1.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4069    8.9810    2.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8295   11.4408    4.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5131    9.8499    5.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2680   10.2198    6.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2010    8.8558    5.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4879   10.9484    2.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1244    9.3218    2.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6828   11.9547    2.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6722   10.7160    1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7774    7.1762    4.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9404    4.8730    4.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1007    1.3976    3.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6341   -0.3930    2.7546 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
$$$$

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2024-03-23, 948👍, 0💬