Molecule FYI-1014308

A

Molecule Summary:

ID: FYI-1014308
Names:
InChIKey: XADUQNICZKDNTF-UHFFFAOYSA-N
SMILES: O=c2c1ccccc1c(=O)n2c6ccc(c5ccc4nc(c3ccccc3)sc4c5)cc6

Received at FYIcenter.com on: 2025-03-28

Molecule ID: FYI-1014308 Edit

Molecule Structure InChIKey: XADUQNICZKDNTF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c1ccccc1c(=O)n2c6ccc(c5ccc4nc(c3ccccc3)sc4c5)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1014308
FYIcenter.com

 32 37  0  0  0  0  0  0  0  0999 V2000
    0.8546   17.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240   17.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608   16.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282   15.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588   14.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220   15.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914   12.7614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   13.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205   13.6554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825   11.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420   10.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0331    9.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    8.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8073    3.2659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1996    3.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4907    4.7817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4426    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5058    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014308-3D
FYIcenter.com

 48 53  0  0  0  0  0  0  0  0999 V2000
    1.5374    1.9521    1.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    0.9520    0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1910    0.5948    0.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3336    1.2452    0.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5610    0.6592    0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6141   -0.5524   -0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4418   -1.1868   -0.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2426   -0.5759   -0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1258   -0.9584   -0.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3649   -1.9768   -1.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.0033   -0.2238 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3764   -0.0153   -0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470    0.7240    0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5416    0.6722    0.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2424   -0.1436   -0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7029   -0.3212   -0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1836   -0.3876    1.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5353   -0.4682    1.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4533   -0.5462    0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8014   -0.6354    0.5847 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4352   -0.8135   -0.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8856   -1.0818   -0.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5701   -0.8960    0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9106   -1.2379    0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6053   -1.7676   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9583   -1.9354   -1.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6069   -1.5922   -1.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4187   -0.7531   -1.9430 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5253   -1.3395   -2.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
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 22 27  2  0  0  0  0
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 30 46  1  0  0  0  0
 31 32  1  0  0  0  0
 31 47  1  0  0  0  0
 32 48  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1531👍, 0💬