Molecule FYI-1004885

A

Molecule Summary:

ID: FYI-1004885
Names:
InChIKey: SLJWJWZCMRYMAO-UHFFFAOYSA-N
SMILES: Cc4cnc(CN3CCC(c1noc2cc(F)ccc12)CC3)c(C)c4

Received at FYIcenter.com on: 2023-09-26

Molecule ID: FYI-1004885 Edit

Molecule Structure InChIKey: SLJWJWZCMRYMAO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cnc(CN3CCC(c1noc2cc(F)ccc12)CC3)c(C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004885
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.4905    9.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    8.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781    7.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    8.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    7.4868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    8.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    7.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    5.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0695    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5736    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4905    5.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9153    5.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    7.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 18 12  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 20  5  1  0  0  0  0
 21  3  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004885-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.6231    1.2491   -2.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5770    0.5682   -1.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336   -0.6053   -1.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1075   -1.3206   -0.3795 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3861   -0.8522   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4822   -1.7579    0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2981   -3.2343    0.2462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9507   -3.7742   -1.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242   -5.2740   -1.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6941   -5.7148    0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7789   -5.3803   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8498   -5.3162    0.6067 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8218   -4.6955   -0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9176   -4.1171   -1.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6637   -3.5386   -2.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6671   -2.9472   -3.1306 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3971   -3.5544   -3.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3200   -4.1560   -2.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5309   -4.7278   -1.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2893   -5.1858    1.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  2  0  0  0  0
  6  7  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  2  0  0  0  0
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 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
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 25 47  1  0  0  0  0
M  END
$$$$

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2023-10-15, 1448👍, 0💬