Molecule FYI-1007878

A

Molecule Summary:

ID: FYI-1007878
Names:
InChIKey: FJQBVUSZNPTQHV-UHFFFAOYSA-N
SMILES: Clc4cccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2)n3)c4Cl

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

Molecule ID: FYI-1007878 Edit

Molecule Structure InChIKey: FJQBVUSZNPTQHV-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4cccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2)n3)c4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007878
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 Cl  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
    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
    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
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 Cl  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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
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 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  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
 28  6  2  0  0  0  0
 28  2  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007878-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   -2.9203  -13.7893   -2.7529 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414  -12.1999   -2.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8775  -12.0765   -2.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700  -10.8286   -2.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0279   -9.7009   -2.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4102   -9.7807   -3.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895   -8.6393   -3.4264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9587   -7.2954   -3.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7189   -6.8103   -2.9884 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5962   -5.5239   -2.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724   -4.6988   -2.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9206   -5.2689   -2.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651   -4.4599   -2.3568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4131   -4.9007   -2.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3256   -4.4437   -1.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6312   -4.9482   -1.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0741   -5.8974   -2.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3946   -6.6112   -2.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6275   -6.0640   -2.6914 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7326   -6.0015   -4.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2598   -4.6763   -4.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8658   -3.5396   -4.1369 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6479   -3.5458   -2.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1526   -4.8439   -2.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8863   -5.7692   -3.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0578   -6.5524   -2.9733 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069  -11.0630   -3.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7108  -11.1999   -3.4562 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2809  -12.9496   -2.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931  -10.7206   -2.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.5910   -3.3622   -2.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2427   -4.8727   -2.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4962   -7.0057   -4.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2226   -6.1036   -4.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2 28  2  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
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 14 26  2  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  2  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  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 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$

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2024-03-23, 983👍, 0💬