Molecule FYI-1004913

A

Molecule Summary:

ID: FYI-1004913
Names:
InChIKey: FSKDWNYHEBXHKS-UHFFFAOYSA-O
SMILES: Cn6cc(c1nn(C)nc2c3c(F)n(cc12)C(=O)[NH+]3C(=O)c4cc5cc(c4)[nH]nn5)cn6

Received at FYIcenter.com on: 2023-09-29

Molecule ID: FYI-1004913 Edit

Molecule Structure InChIKey: FSKDWNYHEBXHKS-UHFFFAOYSA-O

Molecule Structure SMILES String: Cn6cc(c1nn(C)nc2c3c(F)n(cc12)C(=O)[NH+]3C(=O)c4cc5cc(c4)[nH]nn5)cn6

Download SDF Download SVG Structure in 2D SDF:

FYI-1004913
FYIcenter.com

 32 37  0  0  0  0  0  0  0  0999 V2000
   11.7575    6.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0024    4.4129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4522    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2475    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8293    0.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0186    0.7953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 32 31  2  0  0  0  0
 32  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004913-3D
FYIcenter.com

 46 51  0  0  0  0  0  0  0  0999 V2000
   13.4600   -4.5058    4.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1568   -4.0321    4.4354 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5307   -4.2400    3.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2919   -3.6134    3.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2989   -3.5660    2.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5936   -4.0003    1.0589 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6209   -3.9356    0.0978 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860   -5.0976   -0.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3482   -2.4246    1.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6615    0.0407    3.2061 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9865   -2.2558    3.4224 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1735   -2.9801    3.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9948   -2.9727    2.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0084   -2.8075    2.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5127   -3.9081    2.4210 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8587   -1.8488    1.4676 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6752   -1.6577    0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7423   -1.7762    1.5283 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4014   -0.9462   -0.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 46  1  0  0  0  0
M  END
$$$$

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2023-10-11, 2109👍, 0💬