Molecule FYI-1014277

A

Molecule Summary:

ID: FYI-1014277
Names:
InChIKey: ACVJFRXHOLNMDJ-XBMUEBEBSA-N
SMILES: N[C@H]4CCN(Cc3cccc(C2=CC1C=CN=C(O)C1C=C2)c3)C4

Received at FYIcenter.com on: 2025-03-21

Molecule ID: FYI-1014277 Edit

Molecule Structure InChIKey: ACVJFRXHOLNMDJ-XBMUEBEBSA-N

Molecule Structure SMILES String: N[C@H]4CCN(Cc3cccc(C2=CC1C=CN=C(O)C1C=C2)c3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014277
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.6406    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    7.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    5.4376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  4  5  2  0  0  0  0
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  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014277-3D
FYIcenter.com

 47 50  0  0  1  0  0  0  0  0999 V2000
   20.2322    2.5756   -1.7201 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5034    3.7148   -2.2939 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.9142    3.3753   -3.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3959    3.3599   -3.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0819    3.5189   -2.0457 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7995    2.2812   -1.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5805    1.4669   -1.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7748    0.2685   -2.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7123   -0.5831   -2.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4516   -0.2667   -2.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2194    0.9064   -1.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8102    1.1872   -1.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2765    1.6919    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7851    2.0102   -0.0707 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7244    2.1708    0.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5296    2.6395    0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3170    3.3340   -0.6500 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3178    3.4817   -1.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1862    4.2881   -2.5105 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913    2.9405   -1.2869 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0832    2.0777   -2.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8464    1.0092   -2.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2845    1.7974   -1.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2829    4.1668   -1.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0109    2.3341   -2.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6357    1.7511   -1.7106 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2182    4.5419   -2.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2770    2.4177   -4.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2033    4.1431   -4.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9433    2.4827   -3.9423 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9860    4.2296   -4.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6457    2.5437   -0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6621    1.6094   -1.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7691   -0.0217   -2.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8582   -1.4962   -3.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6285   -0.9390   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8759    1.9853    0.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4237    1.0029   -0.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7414    1.5604    1.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6274    2.3971    1.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2799    4.6298   -2.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3781    3.7972   -1.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3706    2.6924   -3.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3023    0.0723   -2.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1153    2.7480   -0.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4087    3.9874   -0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1682    5.2524   -1.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2  1  1  0  0  0  0
  2 27  1  6  0  0  0
  3  4  1  0  0  0  0
  3 28  1  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
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  2  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  2  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
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 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  3  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1292👍, 0💬