Molecule FYI-1009120

A

Molecule Summary:

ID: FYI-1009120
Names:
InChIKey: ZATTZNDAIMHRJB-UHFFFAOYSA-M
SMILES: [O-]c4ccc3[nH]c1ccccc1c(N2CCN(CC(F)(F)F)CC2)nc3c4

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009120 Edit

Molecule Structure InChIKey: ZATTZNDAIMHRJB-UHFFFAOYSA-M

Molecule Structure SMILES String: [O-]c4ccc3[nH]c1ccccc1c(N2CCN(CC(F)(F)F)CC2)nc3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009120
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.0462    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5577    1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9420    1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4536    2.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5806    3.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1963    3.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6848    2.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1700    4.6532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.7493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.1493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.9369    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4493    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    9.3617    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4313    6.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1198    8.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1460    9.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4839    8.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7954    7.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7691    6.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2806    5.1221    0.0000 N   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
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 20 10  1  0  0  0  0
 21  9  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  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
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
 27  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009120-3D
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.0063    0.2388   -0.0493 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2807    0.2127   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9992   -0.9817   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3959   -1.0294   -0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1513    0.1416   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5646    0.0107   -0.0233 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    0.4790    1.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9446   -0.3868    1.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4587    0.0246    3.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1950    1.3044    3.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4289    2.1774    2.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9158    1.7672    1.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2527    2.8017    0.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151    4.0264    0.7602 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2793    4.0700    0.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0770    5.1323    1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4858    6.4931    0.9595 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    7.1354   -0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0394    7.3417   -0.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0440    6.9964   -0.1443 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1860    6.6066   -2.1077 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2334    8.6385   -1.3179 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0482    6.3990    1.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2026    5.2966    0.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1595    2.6260    0.1009 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4923    1.3746    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0826    1.3735    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425   -1.9138   -0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8753   -1.9955   -0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8627   -0.9185   -0.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1324   -1.4017    1.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0461   -0.6670    3.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5844    1.6254    4.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298    3.1842    3.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2524    4.2992   -0.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7898    3.1057    0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1138    5.1310    0.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    4.8277    2.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1790    8.1302   -0.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250    6.5988   -1.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5614    7.3748    1.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0337    6.1930    2.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0280    5.5542   -0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286    5.2364    1.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5727    2.3298    0.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  2  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  2  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
$$$$

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2024-05-05, 202👍, 0💬