Molecule FYI-1007679

A

Molecule Summary:

ID: FYI-1007679
Names:
InChIKey: GYGRJEPRKWCSAM-FMIVXFBMSA-N
SMILES: CCN4CCC(C(/C=C/N=C(C)/NC3=NC=C(F)C(c1ccc2cc1n(C(C)C)c(C)n2)C3)NCCO)CC4

Received at FYIcenter.com on: 2024-03-12

Molecule ID: FYI-1007679 Edit

Molecule Structure InChIKey: GYGRJEPRKWCSAM-FMIVXFBMSA-N

Molecule Structure SMILES String: CCN4CCC(C(/C=C/N=C(C)/NC3=NC=C(F)C(c1ccc2cc1n(C(C)C)c(C)n2)C3)NCCO)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007679
FYIcenter.com

 39 42  0  0  0  0  0  0  0  0999 V2000
    3.5805    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7740    0.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7740    2.0672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    2.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    4.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7740    4.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5805    4.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5805    2.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7740    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    6.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1610    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3545    6.8906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5479    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5479    4.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7414    6.8906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9350    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1285    4.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3219    4.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3219    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1285    6.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5154    6.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7090    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9024    6.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9024    8.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7090    8.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5154    8.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4938    7.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4938    5.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3003    5.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3003    3.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1067    3.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4938    3.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6872    5.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5154    4.1344    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5805    6.8906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3871    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1935    6.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2016    0.0000 O   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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
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 35 19  1  0  0  0  0
 36  9  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007679-3D
FYIcenter.com

 83 86  0  0  1  0  0  0  0  0999 V2000
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M  END
$$$$

✍: FYIcenter.com

2024-03-17, 168👍, 0💬