Molecule FYI-1001619

A

Molecule Summary:

ID: FYI-1001619
SMILES: N#CC1=CN=C(C=C1)N2C(=NC(N(C)C)=N2)[C@H](C)N([H])C(=O)C3C=C(C=C(OC(F)(F)F)C=3)C4CC4

Received at FYIcenter.com on: 2022-10-04

Molecule ID: FYI-1001619 Edit

Molecule Structure SMILES String: N#CC1=CN=C(C=C1)N2C(=NC(N(C)C)=N2)[C@H](C)N([H])C(=O)C3C=C(C=C(OC(F)(F)F)C=3)C4CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001619
FYIcenter.com

 29 32  0  0  1  0  0  0  0  0999 V2000
    5.1502   11.1601    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1907   10.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8996    8.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9400    7.9172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2715    8.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5626    9.7192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5221   10.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3118    7.4130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    6.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4444    5.4513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3813    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6813    7.7041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9124    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0622    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 13 15  1  6  0  0  0
 16 15  1  0  0  0  0
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 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001619-3D
FYIcenter.com

 57 60  0  0  1  0  0  0  0  0999 V2000
   -9.1499   -3.1246   -4.2261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5920   -2.1145   -4.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8894   -0.8923   -3.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5538   -0.9187   -3.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7475    2.5485   -2.7729 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2022-10-07, 326👍, 0💬