Molecule FYI-1010880

A

Molecule Summary:

ID: FYI-1010880
Names:
InChIKey: HQXBLDNBGAWOFW-QMMMGPOBSA-N
SMILES: N[C@@H](Cc2nnc(c1ccccc1)nn2)[B-](F)(F)F

Received at FYIcenter.com on: 2024-07-16

Molecule ID: FYI-1010880 Edit

Molecule Structure InChIKey: HQXBLDNBGAWOFW-QMMMGPOBSA-N

Molecule Structure SMILES String: N[C@@H](Cc2nnc(c1ccccc1)nn2)[B-](F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1010880
FYIcenter.com

 19 20  0  0  1  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0
   10.3995    3.6876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    6.1124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  3 16  1  0  0  0  0
  3  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  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 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
  4 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010880-3D
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
    1.7892    3.4251    0.4407 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9954    1.9768    0.5555 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0047    1.4734   -0.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5068    1.7093   -1.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9831    2.7450   -2.6329 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5320    2.9630   -3.8673 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6107    2.1346   -4.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1178    2.3611   -5.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138    3.4986   -6.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0421    3.7049   -7.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1731    2.7793   -8.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2256    1.6483   -7.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2380    1.4404   -6.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1504    1.0876   -3.6911 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5791    0.8859   -2.4460 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5021    1.6347    2.0538 B   0  5  0  0  0  0  0  0  0  0  0  0
    3.7804    2.2819    2.3161 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234    2.1131    3.0192 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6535    0.1964    2.2116 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3216    3.6525   -0.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090    3.9266    0.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0195    1.4619    0.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2047    0.3849   -0.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9687    2.0069   -0.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1861    4.2281   -6.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3470    4.5815   -8.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901    2.9398   -9.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957    0.9298   -8.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0827    0.5546   -5.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  2 22  1  6  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
$$$$

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