Molecule FYI-1009264

A

Molecule Summary:

ID: FYI-1009264
Names:
InChIKey: NIVAGONUJKAVTN-YZKFAUGJSA-N
SMILES: CS(=O)(=O)n4cc3CN([C@@H]2C[C@H](N)C(c1cc(F)c(F)cc1F)O[C@@H]2C(F)(F)F)Cc3n4

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009264 Edit

Molecule Structure InChIKey: NIVAGONUJKAVTN-YZKFAUGJSA-N

Molecule Structure SMILES String: CS(=O)(=O)n4cc3CN([C@@H]2C[C@H](N)C(c1cc(F)c(F)cc1F)O[C@@H]2C(F)(F)F)Cc3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009264
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
   14.1309    6.5419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4309    7.7543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7309    8.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6434    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2185    7.0543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9396    7.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0027    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    4.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7027    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    5.6620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 23 20  1  0  0  0  0
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 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 31 24  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009264-3D
FYIcenter.com

 50 53  0  0  1  0  0  0  0  0999 V2000
    1.6649   -0.9103   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287   -0.1234    0.5239 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1452   -0.1728   -0.0823 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621    1.1267    1.0046 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9605   -1.0992    1.9411 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8867   -0.8094    2.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8438   -1.8886    3.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806   -2.5465    4.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663   -4.0165    4.6122 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.3805   -4.6933    3.8888 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.3510   -6.4242    1.4019 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7197   -6.9668    1.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3137   -8.0381    1.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5488   -8.5367    1.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1031   -9.5494    1.9594 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2016   -8.0018    0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3881   -8.4883   -0.2094 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6188   -6.9776   -0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3816   -6.4910   -0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8192   -5.5649   -0.9281 F   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  2  0  0  0  0
M  END
$$$$

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2024-05-16, 1445👍, 0💬