Molecule FYI-1009180

A

Molecule Summary:

ID: FYI-1009180
Names:
InChIKey: BKHRMMVXDFFCLU-INIZCTEOSA-N
SMILES: CC#CCn2c(N1CCC[C@H](N)C1)nc4c2c(=O)n(Cc3cccc(F)c3C(=O)OOC)c(=O)n4C

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009180 Edit

Molecule Structure InChIKey: BKHRMMVXDFFCLU-INIZCTEOSA-N

Molecule Structure SMILES String: CC#CCn2c(N1CCC[C@H](N)C1)nc4c2c(=O)n(Cc3cccc(F)c3C(=O)OOC)c(=O)n4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009180
FYIcenter.com

 36 39  0  0  1  0  0  0  0  0999 V2000
    5.8834    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8834    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3083    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3083    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0959    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7331    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000   10.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
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  9  8  1  0  0  0  0
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 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009180-3D
FYIcenter.com

 63 66  0  0  1  0  0  0  0  0999 V2000
    8.4750    0.0434   -2.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1386   -5.9993   -1.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4600   -2.0214    3.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0529    1.3325    5.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1178    2.2193    6.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7521    1.8387    6.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-05-22, 1437👍, 0💬