Molecule FYI-1007917

A

Molecule Summary:

ID: FYI-1007917
Names:
InChIKey: ZWVMFVVRGXKNBR-UHFFFAOYSA-N
SMILES: Fc4ccc(Nc3nccc(Nc1cc(Cl)ccc1CN2CCOCC2)n3)cc4

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007917 Edit

Molecule Structure InChIKey: ZWVMFVVRGXKNBR-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4ccc(Nc3nccc(Nc1cc(Cl)ccc1CN2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007917
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   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
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
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  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
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 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 16  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
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007917-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   -7.8522    7.8094    3.9312 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2495    6.6662    3.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1421    6.3404    2.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5065    5.1568    1.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9526    4.2903    2.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1978    3.1514    2.4925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9631    2.6955    1.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0097    1.3750    1.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0448    0.9676   -0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0420    1.8320   -1.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9049    3.1731   -1.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6672    4.1000   -2.1298 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3337    5.3677   -2.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1575    6.4274   -1.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7659    7.6719   -1.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4586    8.9868   -0.5628 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0910    5.6038   -3.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1318    4.6044   -4.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1786    4.9153   -5.7082 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3017    3.9536   -6.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6299    2.5937   -6.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  2 29  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  1  0  0  0  0
  5 28  2  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
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 14 36  1  0  0  0  0
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 19 20  1  0  0  0  0
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 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
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 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
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 26 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 138👍, 0💬