Molecule FYI-1003487

A

Molecule Summary:

ID: FYI-1003487
Names:
InChIKey: KFYORMHWDYYVCA-QGZVFWFLSA-N
SMILES: O=C(Nc4cccc(c3noc([C@H]1CC12CCNCC2)n3)c4)c5ccccc5F

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003487 Edit

Molecule Structure InChIKey: KFYORMHWDYYVCA-QGZVFWFLSA-N

Molecule Structure SMILES String: O=C(Nc4cccc(c3noc([C@H]1CC12CCNCC2)n3)c4)c5ccccc5F

Download SDF Download SVG Structure in 2D SDF:

FYI-1003487
FYIcenter.com

 29 33  0  0  1  0  0  0  0  0999 V2000
    7.2747    7.0890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    4.1661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.8346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7353    1.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2295    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7989    1.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9760    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5838    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  8  1  0  0  0  0
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 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  6  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003487-3D
FYIcenter.com

 50 54  0  0  1  0  0  0  0  0999 V2000
    1.1151    0.4954    0.5797 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2114    0.1583    0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7228    0.5017   -1.0990 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0973    1.3057   -2.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722    2.0886   -1.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3776    2.8333   -2.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9098    2.8117   -4.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0578    2.0604   -4.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6396    2.0514   -5.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1591    2.7407   -6.7782 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300    2.4130   -7.8158 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9449    1.5421   -7.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0470    0.9016   -8.1272 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3385    0.5091   -7.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4277   -0.5713   -7.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8251   -1.3501   -9.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5987   -2.0593   -9.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9044   -2.9080   -8.7871 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4977   -2.1194   -7.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7065   -1.4606   -6.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7607    1.3150   -6.0193 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6457    1.3102   -3.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0499   -0.7401    0.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860   -1.2536    2.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2187   -2.1158    2.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216   -2.4667    2.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0939   -1.9551    1.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3567   -1.0968    0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9451   -0.6319   -0.4538 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4660   -0.9914    2.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0906   -3.1443    3.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1107   -2.2186    1.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  2  0  0  0  0
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  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
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 10 11  1  0  0  0  0
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 28 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-05, 2470👍, 0💬