Molecule FYI-1006468

A

Molecule Summary:

ID: FYI-1006468
Names:
InChIKey: ZJLSMLDOCGOURY-UHFFFAOYSA-N
SMILES: CNC(=O)c4cc(Oc3ccc2nc(Nc1ccc(Cl)c(C(F)(F)F)c1)[nH]c2c3)ccn4

Received at FYIcenter.com on: 2023-12-24

Molecule ID: FYI-1006468 Edit

Molecule Structure InChIKey: ZJLSMLDOCGOURY-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)c4cc(Oc3ccc2nc(Nc1ccc(Cl)c(C(F)(F)F)c1)[nH]c2c3)ccn4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006468
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6042    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042    5.2249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.0042    3.8249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 31 29  1  0  0  0  0
 32 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006468-3D
FYIcenter.com

 47 50  0     0  0  0  0  0  0999 V2000
    7.9196   -0.4575    1.5038 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6563    2.2119   -1.8020 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7523    2.2493    0.0751 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0831    0.6283   -1.3443 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2542   -2.3623   -0.3742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9245    2.1211    1.8573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385   -0.2771   -0.9544 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3938    0.1600   -0.5449 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -1.4297    0.7007 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6085    1.0003   -1.0219 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2715   -0.5234   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7253    0.0175   -0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9391   -2.1641   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3569   -2.8912    0.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7470    0.7571   -0.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0506    0.6179   -0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9810   -0.8584    0.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3196   -0.2596    0.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2846   -0.9975    1.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 47  1  0  0  0  0
M  END
$$$$

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2023-12-31, 1159👍, 0💬