Molecule FYI-1003153

A

Molecule Summary:

ID: FYI-1003153
Names:
InChIKey: NWGGKKGAFZIVBJ-UHFFFAOYSA-N
SMILES: O=C(OCCN2CCN(c1cccc(C(F)(F)F)c1)CC2)c3ccccc3Nc4ccnc5cc(C(F)(F)F)ccc45

Received at FYIcenter.com on: 2023-05-16

Molecule ID: FYI-1003153 Edit

Molecule Structure InChIKey: NWGGKKGAFZIVBJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(OCCN2CCN(c1cccc(C(F)(F)F)c1)CC2)c3ccccc3Nc4ccnc5cc(C(F)(F)F)ccc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003153
FYIcenter.com

 42 46  0  0  0  0  0  0  0  0999 V2000
   12.3119    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5245    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7369    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9493    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3742    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3742    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5866    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2866    6.4876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.7990    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.8866    8.9124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9493    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7369    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 23  3  2  0  0  0  0
 24  2  1  0  0  0  0
 25 24  1  0  0  0  0
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 40 35  2  0  0  0  0
 40 31  1  0  0  0  0
 41 30  1  0  0  0  0
 42 41  1  0  0  0  0
 42 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003153-3D
FYIcenter.com

 68 72  0     0  0  0  0  0  0999 V2000
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M  END
$$$$

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2023-06-12, 1575👍, 0💬