Molecule FYI-1005838

A

Molecule Summary:

ID: FYI-1005838
Names:
InChIKey: RFGDZTYBSXLUDY-UHFFFAOYSA-N
SMILES: Cn3ccc2nc(C(=O)NCc1ccc(F)cc1)c(O)c(=O)n23

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005838 Edit

Molecule Structure InChIKey: RFGDZTYBSXLUDY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3ccc2nc(C(=O)NCc1ccc(F)cc1)c(O)c(=O)n23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005838
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   12.6760    0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 N   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  2  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  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 18 12  1  0  0  0  0
 19  7  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 23  5  1  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005838-3D
FYIcenter.com

 36 38  0     1  0  0  0  0  0999 V2000
   -6.2352    0.6285    2.0879 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9785    2.5430   -0.4508 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069    2.3230    0.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6687    1.1912   -1.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4603    0.0084    0.3444 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -0.3992    0.8517 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.6126   -1.0971   -0.6311 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0213   -0.9510   -1.1064 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7871   -1.1243   -0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676    1.2934    0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6609   -2.2955    0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7517   -1.7595    0.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0459    0.1580   -0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6012    1.3206   -0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6794    0.5083    1.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3666   -1.1471   -1.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949    0.2027   -1.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3983   -0.6735   -0.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9012   -1.5514    0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8537    0.6441   -0.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8597   -1.1119    1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8123    1.0837    0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3153    0.2057    1.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4447   -3.3216   -0.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6391   -2.2798    1.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5699   -0.0321    1.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9939    1.1969    0.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3064    1.0878    2.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4907   -2.2167   -1.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4837   -0.6248   -2.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6088   -1.7005   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5529   -2.5797    0.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726    1.3383   -1.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795    2.4295   -0.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2511   -1.7948    2.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1675    2.1093    0.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 14  1  0  0  0  0
  2 34  1  0  0  0  0
  3 10  2  0  0  0  0
  4 17  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

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2023-11-23, 784👍, 0💬