Molecule FYI-1015932

A

Molecule Summary:

ID: FYI-1015932
Names:
InChIKey: PPLJHSXVYRHSBA-UHFFFAOYSA-N
SMILES: COc4cncc(c3nc(N(C)Cc1n[nH]c(N)c1C#N)c2cc(OC)c(OC)cc2n3)c4

Received at FYIcenter.com on: 2025-11-04

Molecule ID: FYI-1015932 Edit

Molecule Structure InChIKey: PPLJHSXVYRHSBA-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cncc(c3nc(N(C)Cc1n[nH]c(N)c1C#N)c2cc(OC)c(OC)cc2n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015932
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
   10.7028   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4904    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 32 23  1  0  0  0  0
 33 32  2  0  0  0  0
 33  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015932-3D
FYIcenter.com

 55 58  0  0  0  0  0  0  0  0999 V2000
    5.7801    0.5061   -1.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2431   -0.0193   -0.6600 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5240   -1.1752   -0.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9787   -1.6872    0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2448   -2.8211    0.4544 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604   -3.4832   -0.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5596   -3.0805   -1.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400   -3.8843   -3.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858   -5.2110   -3.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0202   -5.9772   -4.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4695   -9.1379   -2.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2540  -10.3170   -2.2885 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3081  -11.0707   -2.6571 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1813  -10.4353   -3.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6722   -7.2975   -5.1349 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0031   -5.3780   -5.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 31  2  0  0  0  0
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 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
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 33 55  1  0  0  0  0
M  END
$$$$

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2025-11-06, 518👍, 0💬