Molecule FYI-1005971

A

Molecule Summary:

ID: FYI-1005971
Names:
InChIKey: HZFNEUHINYNBMT-UHFFFAOYSA-N
SMILES: O=C(NCc2ccc(Cc1c[nH]cn1)cc2)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1005971 Edit

Molecule Structure InChIKey: HZFNEUHINYNBMT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NCc2ccc(Cc1c[nH]cn1)cc2)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005971
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.4871    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2532    2.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1899    3.9710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4899    5.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1206    4.8923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 27  1  0  0  0  0
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 31 28  1  0  0  0  0
 32 27  2  0  0  0  0
 32 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005971-3D
FYIcenter.com

 50 52  0     0  0  0  0  0  0999 V2000
   -4.2197    1.8976   -2.8921 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    0.4748   -3.6527 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1002    2.2785   -2.6346 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6180    0.4443    3.4642 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352    2.2562    2.6484 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9893   -3.7278   -0.5214 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4473    3.3200    0.9940 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8015    3.9751   -0.3453 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0689   -2.5747    0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3102   -3.8702    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 338👍, 0💬