Molecule FYI-1003750

A

Molecule Summary:

ID: FYI-1003750
Names:
InChIKey: GYZVOATZMAETST-UHFFFAOYSA-N
SMILES: OC(C#Cc3nc(c1ccc(F)cc1)c(c2ccncc2)[nH]3)c4ccccc4

Received at FYIcenter.com on: 2023-07-24

Molecule ID: FYI-1003750 Edit

Molecule Structure InChIKey: GYZVOATZMAETST-UHFFFAOYSA-N

Molecule Structure SMILES String: OC(C#Cc3nc(c1ccc(F)cc1)c(c2ccncc2)[nH]3)c4ccccc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003750
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6373   10.2992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    5.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3598    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5369    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1064    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4987    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0681    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3216    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4904    6.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    6.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7057    5.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0980    5.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673    6.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8446    7.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5536    7.3686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    8.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  3  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
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 21 20  2  0  0  0  0
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 22  5  1  0  0  0  0
 23  2  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003750-3D
FYIcenter.com

 44 47  0     1  0  0  0  0  0999 V2000
    5.7510   -3.8745   -0.2429 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9774    1.6702    1.8209 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867    1.3609    0.3787 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1576   -0.8474    0.6124 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6179    3.6214   -0.7775 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4683    0.9440    0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4223   -0.4197    0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391   -1.3114    0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5397    1.8548   -0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5638    0.2508    0.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3273   -1.6227    1.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359   -1.8659   -1.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8157    2.1750   -1.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3023    2.4174    0.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5801    0.3435    1.4756 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4070   -0.1287    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4123   -2.4885    1.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9208   -2.7317   -1.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7091   -3.0431   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9536    0.2763    0.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8556    3.0553   -1.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3205    3.2867    0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1095   -1.1988    2.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2439    1.7561   -2.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1181    2.1917    1.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9326    1.0676   -2.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2 15  1  0  0  0  0
  2 44  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 29  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5 21  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 17  1  0  0  0  0
 11 30  1  0  0  0  0
 12 18  2  0  0  0  0
 12 31  1  0  0  0  0
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 14 22  2  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 15 34  1  0  0  0  0
 16 23  2  0  0  0  0
 16 24  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 20 25  3  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 26  1  0  0  0  0
 23 39  1  0  0  0  0
 24 27  2  0  0  0  0
 24 40  1  0  0  0  0
 26 28  2  0  0  0  0
 26 41  1  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-03, 460👍, 0💬