Molecule FYI-1007168

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A

Molecule Summary:

ID: FYI-1007168
Names:
InChIKey: SUECQXJKXRWLSU-AATRIKPKSA-N
SMILES: Oc2cc(/C=C/c1c[nH]cn1)nc3ccccc23

Received at FYIcenter.com on: 2024-02-06

Molecule ID: FYI-1007168 Edit

Molecule Structure InChIKey: SUECQXJKXRWLSU-AATRIKPKSA-N

Molecule Structure SMILES String: Oc2cc(/C=C/c1c[nH]cn1)nc3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007168
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0029    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7661    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 14 18  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007168-3D
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.8547    0.0400    0.0583 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2233   -0.0300    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -1.2680   -0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2342   -1.2929   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0081   -2.5377   -0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5948   -3.6817   -0.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3444   -4.8832   -0.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6001   -5.1666   -0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430   -6.4529   -0.7318 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7432   -6.8868   -1.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8158   -5.9593   -1.4765 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9880   -0.1692   -0.0984 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3716    1.0268   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1389    2.1848   -0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5579    3.4569   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    3.5848   -0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3843    2.4402   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9708    1.1564   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4858   -0.8570    0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780   -2.1865    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0020   -2.4559    0.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6149   -3.7266   -1.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3226   -4.5928    0.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6831   -6.9873   -0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6809   -7.8769   -1.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2219    2.0941   -0.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1880    4.3412   -0.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7135    4.5681   -0.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3017    2.5423    0.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  2  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1490👍, 0💬