Molecule FYI-1001119

A

Molecule Summary:

ID: FYI-1001119
SMILES: O=C(NN=C1C2=C(c3c1cc(O)c1c3CO1)C1CO[C@]13C=C[C@]14c5cc(O)oc5[C@]15[C@@H]2[C@@]345)C1C=CC(NC2=CCC=CC2)=CN1

Received at FYIcenter.com on: 2022-01-17

Molecule ID: FYI-1001119 Edit

Molecule Structure SMILES String: O=C(NN=C1C2=C(c3c1cc(O)c1c3CO1)C1CO[C@]13C=C[C@]14c5cc(O)oc5[C@]15[C@@H]2[C@@]345)C1C=CC(NC2=CCC=CC2)=CN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001119
FYIcenter.com

 45 56  0  0  1  0  0  0  0  0999 V2000
   10.1872    6.3311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9762    7.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7652    6.3311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5541    7.0302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3431    6.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1970    4.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8291    4.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299    5.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0657    6.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6334    8.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2657    8.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8336    9.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300    7.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621    6.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4321    5.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3970    3.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3300    2.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2170    1.3342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3123    2.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3123    0.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424    0.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4643    1.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417    0.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7810    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9920    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    0.1305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7013    2.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3105    2.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0330    2.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2111    3.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424    2.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9762    8.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1872    9.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1872   10.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9762   11.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9762   12.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7652   13.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7652   14.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5541   15.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3431   14.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3431   13.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5541   12.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7652   10.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7652    9.1278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  5  1  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 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  6  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  1  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 29 24  2  0  0  0  0
 30 29  1  6  0  0  0
 30 23  1  0  0  0  0
 31 30  1  0  0  0  0
 31  6  1  6  0  0  0
 32 31  1  6  0  0  0
 32 20  1  0  0  0  0
 32 23  1  0  0  0  0
 32 30  1  0  0  0  0
 33  2  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 43 38  1  0  0  0  0
 44 36  2  0  0  0  0
 45 44  1  0  0  0  0
 45 33  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2022-04-13, 648👍, 0💬