Molecule FYI-1005000

A

Molecule Summary:

ID: FYI-1005000
Names:
InChIKey: PEMUGDMSUDYLHU-ZEQRLZLVSA-N
SMILES: C=C(F)C(=O)N6CCN(c5nc(OC[C@@H]1CCCN1C)nc4CN(c2cccc3cccc(Cl)c23)CCc45)C[C@@H]6CC#N

Received at FYIcenter.com on: 2023-10-08

Molecule ID: FYI-1005000 Edit

Molecule Structure InChIKey: PEMUGDMSUDYLHU-ZEQRLZLVSA-N

Molecule Structure SMILES String: C=C(F)C(=O)N6CCN(c5nc(OC[C@@H]1CCCN1C)nc4CN(c2cccc3cccc(Cl)c23)CCc45)C[C@@H]6CC#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1005000
FYIcenter.com

 43 48  0  0  1  0  0  0  0  0999 V2000
   14.9067    8.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6157    9.9306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525   10.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8525   12.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4831   11.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2745    1.4000    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
    7.2745    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  6  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 29 28  2  0  0  0  0
 29  9  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 35 30  1  0  0  0  0
 34 36  1  6  0  0  0
 37 36  1  0  0  0  0
 38 37  3  0  0  0  0
 39 33  1  0  0  0  0
 40 39  2  0  0  0  0
 41 39  1  0  0  0  0
 42 41  2  0  0  0  0
 43 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005000-3D
FYIcenter.com

 78 83  0     1  0  0  0  0  0999 V2000
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M  END
$$$$

✍: FYIcenter.com

2023-10-15, 1612👍, 0💬