Molecule FYI-1010710

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A

Molecule Summary:

ID: FYI-1010710
Names:
InChIKey: ICCFXXDUYSPKOL-UHFFFAOYSA-N
SMILES: O=N(=O)c2ccc(Sc1ccccn1=O)c3nonc23

Received at FYIcenter.com on: 2024-07-04

Molecule ID: FYI-1010710 Edit

Molecule Structure InChIKey: ICCFXXDUYSPKOL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)c2ccc(Sc1ccccn1=O)c3nonc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1010710
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9539    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3462    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.5157    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6157    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  2  0  0  0  0
 16 11  1  0  0  0  0
 18  2  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010710-3D
FYIcenter.com

 26 28  0     0  0  0  0  0  0999 V2000
   -1.5307   -1.2281    1.2362 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4626   -2.6745   -0.4214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9471    0.3897    1.9465 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9239    2.6921   -0.0739 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7233    0.7379   -0.6749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7535    0.3080    0.6876 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1812   -2.4833    0.0662 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1734   -1.4881   -0.4830 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7879    1.4504   -0.2267 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0760   -1.1721    0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0153   -0.4428    0.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3423   -0.5394   -0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5585    0.8432    0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2222    0.9369    0.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4553    1.5530    0.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6923   -0.3949    0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4945   -0.4749   -1.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6311    0.9417   -0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3841    0.1666   -2.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4580    0.8787   -1.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5677    1.5798    1.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5242    2.6303    0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6654   -1.0317   -1.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4390    1.4739    0.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414    0.1103   -3.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1564    1.3815   -2.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6 16  1  0  0  0  0
  6 18  2  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 19  1  0  0  0  0
 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
$$$$

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2024-07-25, 1220👍, 0💬