Molecule FYI-1003284

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A

Molecule Summary:

ID: FYI-1003284
Names:
InChIKey: NHNMUPTZVKPGEZ-UHFFFAOYSA-N
SMILES: COc3ccc(c2cnc(c1ccc(OC)cc1)o2)cc3

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003284 Edit

Molecule Structure InChIKey: NHNMUPTZVKPGEZ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(c2cnc(c1ccc(OC)cc1)o2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003284
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.4497    5.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8823    7.1410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7497    7.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6170    7.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0497    5.8094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2856    7.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2726    4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945    8.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    9.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    8.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9136    7.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2452    6.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7031    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5260    2.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9183    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4877    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2910    8.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7412    1.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1717    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  7 17  1  0  0  0  0
  7 13  2  0  0  0  0
 10 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003284-3D
FYIcenter.com

 36 38  0     0  0  0  0  0  0999 V2000
    0.0392   -0.2800   -0.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9852    1.5887    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1878    1.0638    0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7051   -2.4413   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3334   -0.3848   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0645   -1.0707   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.6017   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0629   -1.1772   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213   -1.1160    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3729    1.0095   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6647   -2.3764   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5396    0.7869   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5076   -1.4265    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7878    0.9414    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7485   -0.4529    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6001    1.6726   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405    0.5186    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8175    1.3458    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7857   -0.8676    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1605    0.7798    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    2.4880    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5195   -2.2031    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4686    1.6128   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2673   -3.2728    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6892    1.4646   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4120   -2.5098    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6322   -1.0818    0.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6248    2.7590   -0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8661    2.4294    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6568   -1.5170    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2315    0.1748    0.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2323    0.1725   -0.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0198    1.4584    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8401    2.9169   -0.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375    2.7476    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8400    2.9177    0.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2 14  1  0  0  0  0
  2 20  1  0  0  0  0
  3 17  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 22  1  0  0  0  0
 10 16  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 18  1  0  0  0  0
 12 25  1  0  0  0  0
 13 19  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
$$$$

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2023-06-12, 2430👍, 0💬