Molecule FYI-1014231

A

Molecule Summary:

ID: FYI-1014231
Names:
InChIKey: VDZZYOJYLLNBTD-UHFFFAOYSA-N
SMILES: COc3cc(OC)c(F)c(COc2cnc(Nc1cnn(CCO)c1)nc2)c3F

Received at FYIcenter.com on: 2025-03-13

Molecule ID: FYI-1014231 Edit

Molecule Structure InChIKey: VDZZYOJYLLNBTD-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc(OC)c(F)c(COc2cnc(Nc1cnn(CCO)c1)nc2)c3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1014231
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
   14.6502    6.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6502    7.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4376    8.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4376    9.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2252   10.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0128    9.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0128    8.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2252    7.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2252    6.3732    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8004    7.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3755    7.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8229    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2252   11.9732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0128   12.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 10  7  1  0  0  0  0
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 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27  6  1  0  0  0  0
 28  5  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014231-3D
FYIcenter.com

 48 50  0     0  0  0  0  0  0999 V2000
   -3.3716   -2.4909   -0.2177 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6120    2.1072    0.9192 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4495    0.5281   -0.6915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3493    2.0231    0.7416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1076   -2.6035   -0.4013 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7045   -1.7275   -0.7198 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9830    0.0663    0.7061 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9930    0.9273   -1.0237 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1175   -0.4633    1.5873 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8817    1.3675   -1.9480 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0958    0.1939    0.1458 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9629   -1.4027    0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1671👍, 0💬