Molecule FYI-1001434

A

Molecule Summary:

ID: FYI-1001434
SMILES: ClC1=CN=C(N=C1)N2C(=NC(N(C)C)=N2)[C@H](C)N([H])C(=O)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3

Received at FYIcenter.com on: 2022-07-25

Molecule ID: FYI-1001434 Edit

Molecule Structure SMILES String: ClC1=CN=C(N=C1)N2C(=NC(N(C)C)=N2)[C@H](C)N([H])C(=O)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001434
FYIcenter.com

 34 37  0  0  1  0  0  0  0  0999 V2000
   13.9529   13.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6619   11.8920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3303   11.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2899   12.3963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0393   10.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7077    9.6575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167    8.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4572    7.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7885    7.7838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0796    9.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1660    5.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2497    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 23  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 34 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001434-3D
FYIcenter.com

 50 52  0  0  1  0  0  0  0  0999 V2000
   -8.7539   -2.6664   -3.3256 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.9821   -1.1405   -3.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6666    0.0427   -3.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0743    1.2524   -2.9940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7228    1.2660   -2.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9809    0.1500   -3.1664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6145   -1.0278   -3.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0451    2.4576   -2.5181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7710    2.5284   -2.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7490    4.3956   -1.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8733    6.3408   -0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0512    6.4713   -1.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6683    3.6546   -2.3725 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8504    1.3509   -1.8938 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1912    0.5398   -0.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597    1.7669   -1.8742 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8343    1.2347   -1.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203    2.3802   -2.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5522    2.6394   -4.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2453    2.7826   -4.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
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 31 34  1  0  0  0  0
 35 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 545👍, 0💬