Molecule FYI-1004119

A

Molecule Summary:

ID: FYI-1004119
Names:
InChIKey: DREIJXJRTLTGJC-UHFFFAOYSA-N
SMILES: NC(=O)c2cnc1[nH]ccc1c2NC3C5CC4CC3CC(O)(C4)C5

Received at FYIcenter.com on: 2023-08-14

Molecule ID: FYI-1004119 Edit

Molecule Structure InChIKey: DREIJXJRTLTGJC-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)c2cnc1[nH]ccc1c2NC3C5CC4CC3CC(O)(C4)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004119
FYIcenter.com

 24 28  0  0  0  0  0  0  0  0999 V2000
    5.7324    2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8072    2.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3741    1.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2993    1.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0133    4.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819    4.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819    2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8497    4.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7272    4.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1433    3.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1497    3.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0719    1.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.9642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9567    4.6533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  1  0  0  0  0
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  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004119-3D
FYIcenter.com

 46 50  0     1  0  0  0  0  0999 V2000
   -4.7838    1.6391   -1.1022 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7135   -3.0184   -0.9979 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2281   -0.1451    0.8462 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1679   -0.1938   -0.7172 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124    2.1748   -0.2809 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5325   -3.3722    1.1146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4283   -0.0883   -0.9767 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9789    0.8523    1.3016 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7076    0.9035   -0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0745   -1.2900    0.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5976    0.7108   -1.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5155   -0.5267    1.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2709    1.0262    0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -1.3387   -0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557    0.9229   -0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0665    2.3945    0.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2162    3.0769    0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  2 23  2  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  3 39  1  0  0  0  0
  4 20  2  0  0  0  0
  4 22  1  0  0  0  0
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 13 31  1  0  0  0  0
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 16 37  1  0  0  0  0
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 18 20  1  0  0  0  0
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 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 1460👍, 0💬