Molecule FYI-1007524

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A

Molecule Summary:

ID: FYI-1007524
Names:
InChIKey: FGQLVHSMTMHPFK-UHFFFAOYSA-N
SMILES: COc1ccccc1c2nnc3[nH]c(=O)ccn23

Received at FYIcenter.com on: 2024-02-28

Molecule ID: FYI-1007524 Edit

Molecule Structure InChIKey: FGQLVHSMTMHPFK-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccccc1c2nnc3[nH]c(=O)ccn23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007524
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    3.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    2.2527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    1.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2409    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3872    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5997    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5997    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3872    4.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3872    5.8833    0.0000 C   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  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  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
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007524-3D
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.8056   -0.3012    1.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4883    0.0040   -0.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1428    1.2071   -0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    2.3082    0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5677    3.4857    0.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6544    3.5640   -0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517    2.4878   -1.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1683    1.3206   -1.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4601    0.2838   -2.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6696   -0.0705   -2.5428 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5529   -1.0407   -3.5121 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -1.2438   -3.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6575   -2.1111   -4.5649 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2924   -2.1906   -4.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7123   -2.9723   -5.3805 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036   -1.2614   -3.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.4104   -2.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5314   -0.4183   -2.8830 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4353   -1.3280    1.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360    0.3473    1.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4834   -0.2550    1.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9850    2.2854    1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3050    4.3396    1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2598    4.4663   -0.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7956    2.5679   -1.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2248   -2.7014   -5.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247   -1.3186   -3.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6013    0.2865   -2.3279 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
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  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
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 151👍, 0💬