Molecule FYI-1009255

A

Molecule Summary:

ID: FYI-1009255
Names:
InChIKey: UKRLYOTZOLDCAS-KITQWDANSA-N
SMILES: N[C@H]4C[C@@H](N3Cc2cn(S(=O)(=O)C1CCCC1)nc2C3)[C@@H](C(F)(F)F)OC4c5cc(F)ccc5F

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

Molecule ID: FYI-1009255 Edit

Molecule Structure InChIKey: UKRLYOTZOLDCAS-KITQWDANSA-N

Molecule Structure SMILES String: N[C@H]4C[C@@H](N3Cc2cn(S(=O)(=O)C1CCCC1)nc2C3)[C@@H](C(F)(F)F)OC4c5cc(F)ccc5F

Download SDF Download SVG Structure in 2D SDF:

FYI-1009255
FYIcenter.com

 35 39  0  0  1  0  0  0  0  0999 V2000
    4.1281   10.3668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    9.1544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7281   10.3668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    8.4544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7870    7.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1564    6.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0932    5.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3721    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2258    7.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009255-3D
FYIcenter.com

 60 64  0  0  1  0  0  0  0  0999 V2000
    2.9275    0.4228    1.5096 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.0074    0.1563 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1105    1.0014   -0.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7336    0.6156   -2.3256 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2319    1.6191   -3.2993 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.9189    1.3068   -4.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322    2.4631   -5.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3849    2.9429   -6.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1443   -0.8749   -2.5703 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-05-16, 1396👍, 0💬